(E)-but-2-enedioic acid; 6-methyl-9-(phenylsulfonyl)-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indole; 2-[(2R)-2-methylpiperazin-1-yl]-3-(2-pyridin-3-yloxyethoxy)pyrazine; hydrochloride

Systemtic Name: (E)-but-2-enedioic acid; 6-methyl-9-(phenylsulfonyl)-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indole; 2-[(2R)-2-methylpiperazin-1-yl]-3-(2-pyridin-3-yloxyethoxy)pyrazine; hydrochloride Openeye Name: 9-(benzenesulfonyl)-6-methyl-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indole; fumaric acid; 2-[(2R)-2-methylpiperazin-1-yl]-3-[2-(3-pyridyloxy)ethoxy]pyrazine; hydrochloride CAS Name: 9-(benzenesulfonyl)-6-methyl-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indole; (E)-2-butenedioic acid; 2-[(2R)-2-methyl-1-piperazinyl]-3-[2-(3-pyridinyloxy)ethoxy]pyrazine; hydrochloride IUPAC Name: 9-(benzenesulfonyl)-6-methyl-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indole; (E)-but-2-enedioic acid; 2-[(2R)-2-methylpiperazin-1-yl]-3-(2-pyridin-3-yloxyethoxy)pyrazine; hydrochloride Traditional Name: 9-besyl-6-methyl-2,3,4,5-tetrahydro-1H-azepin[4,5-b]indole; fumaric acid; 2-[(2R)-2-methylpiperazino]-3-[2-(3-pyridyloxy)ethoxy]pyrazine; hydrochloride Formula: C39H46ClN7O8S MolecularWeight: 808.34264

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNCCN1C2=NC=CN=C2OCCOC3=CN=CC=C3.CN1C2=C(CCNCC2)C3=C1C=CC(=C3)S(=O)(=O)C4=CC=CC=C4.C(=CC(=O)O)C(=O)O.Cl

Isomeric SMILES

C[C@@H]1CNCCN1C2=NC=CN=C2OCCOC3=CN=CC=C3.CN1C2=C(CCNCC2)C3=C1C=CC(=C3)S(=O)(=O)C4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O.Cl

InChI

InChI=1S/C19H20N2O2S.C16H21N5O2.C4H4O4.ClH/c1-21-18-8-7-15(24(22,23)14-5-3-2-4-6-14)13-17(18)16-9-11-20-12-10-19(16)21;1-13-11-18-7-8-21(13)15-16(20-6-5-19-15)23-10-9-22-14-3-2-4-17-12-14;5-3(6)1-2-4(7)8;/h2-8,13,20H,9-12H2,1H3;2-6,12-13,18H,7-11H2,1H3;1-2H,(H,5,6)(H,7,8);1H/b;;2-1+;/t;13-;;/m.1../s1