(1,5-dimethyl-2-phenyl-indol-3-yl)-(4-pyridin-3-yl-1,4-diazepan-1-yl)methanone hydrochloride

Systemtic Name: (1,5-dimethyl-2-phenyl-indol-3-yl)-(4-pyridin-3-yl-1,4-diazepan-1-yl)methanone hydrochloride Openeye Name: (1,5-dimethyl-2-phenyl-indol-3-yl)-[4-(3-pyridyl)-1,4-diazepan-1-yl]methanone hydrochloride CAS Name: (1,5-dimethyl-2-phenyl-3-indolyl)-[4-(3-pyridinyl)-1,4-diazepan-1-yl]methanone hydrochloride IUPAC Name: (1,5-dimethyl-2-phenylindol-3-yl)-(4-pyridin-3-yl-1,4-diazepan-1-yl)methanone hydrochloride Traditional Name: (1,5-dimethyl-2-phenyl-indol-3-yl)-[4-(3-pyridyl)-1,4-diazepan-1-yl]methanone hydrochloride Formula: C27H29ClN4O MolecularWeight: 460.99836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=C2C(=O)N3CCCN(CC3)C4=CN=CC=C4)C5=CC=CC=C5)C.Cl

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=C2C(=O)N3CCCN(CC3)C4=CN=CC=C4)C5=CC=CC=C5)C.Cl

InChI

InChI=1S/C27H28N4O.ClH/c1-20-11-12-24-23(18-20)25(26(29(24)2)21-8-4-3-5-9-21)27(32)31-15-7-14-30(16-17-31)22-10-6-13-28-19-22;/h3-6,8-13,18-19H,7,14-17H2,1-2H3;1H