(3-methyl-5-phenyl-4-piperazin-1-yl-2-propan-2-yloxy-azepin-1-yl)-phenyl-methanone hydrochloride

Systemtic Name: (3-methyl-5-phenyl-4-piperazin-1-yl-2-propan-2-yloxy-azepin-1-yl)-phenyl-methanone hydrochloride Openeye Name: (2-isopropoxy-3-methyl-5-phenyl-4-piperazin-1-yl-azepin-1-yl)-phenyl-methanone hydrochloride CAS Name: [3-methyl-5-phenyl-4-(1-piperazinyl)-2-propan-2-yloxy-1-azepinyl]-phenylmethanone hydrochloride IUPAC Name: (3-methyl-5-phenyl-4-piperazin-1-yl-2-propan-2-yloxyazepin-1-yl)-phenylmethanone hydrochloride Traditional Name: (2-isopropoxy-3-methyl-5-phenyl-4-piperazino-azepin-1-yl)-phenyl-methanone hydrochloride Formula: C27H32ClN3O2 MolecularWeight: 466.01488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C=CC(=C1N2CCNCC2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4)OC(C)C.Cl

Isomeric SMILES

CC1=C(N(C=CC(=C1N2CCNCC2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4)OC(C)C.Cl

InChI

InChI=1S/C27H31N3O2.ClH/c1-20(2)32-27-21(3)25(29-18-15-28-16-19-29)24(22-10-6-4-7-11-22)14-17-30(27)26(31)23-12-8-5-9-13-23;/h4-14,17,20,28H,15-16,18-19H2,1-3H3;1H