(2-methyl-3-piperazin-1-yl-azepin-1-yl)-phenyl-methanone hydrochloride

Systemtic Name: (2-methyl-3-piperazin-1-yl-azepin-1-yl)-phenyl-methanone hydrochloride Openeye Name: (2-methyl-3-piperazin-1-yl-azepin-1-yl)-phenyl-methanone hydrochloride CAS Name: [2-methyl-3-(1-piperazinyl)-1-azepinyl]-phenylmethanone hydrochloride IUPAC Name: (2-methyl-3-piperazin-1-ylazepin-1-yl)-phenylmethanone hydrochloride Traditional Name: (2-methyl-3-piperazino-azepin-1-yl)-phenyl-methanone hydrochloride Formula: C18H22ClN3O MolecularWeight: 331.83978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=CN1C(=O)C2=CC=CC=C2)N3CCNCC3.Cl

Isomeric SMILES

CC1=C(C=CC=CN1C(=O)C2=CC=CC=C2)N3CCNCC3.Cl

InChI

InChI=1S/C18H21N3O.ClH/c1-15-17(20-13-10-19-11-14-20)9-5-6-12-21(15)18(22)16-7-3-2-4-8-16;/h2-9,12,19H,10-11,13-14H2,1H3;1H