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

Systemtic Name: (2-methyl-4-phenyl-3-piperazin-1-yl-5-propan-2-yloxy-azepin-1-yl)-phenyl-methanone Openeye Name: (5-isopropoxy-2-methyl-4-phenyl-3-piperazin-1-yl-azepin-1-yl)-phenyl-methanone CAS Name: [2-methyl-4-phenyl-3-(1-piperazinyl)-5-propan-2-yloxy-1-azepinyl]-phenylmethanone IUPAC Name: (2-methyl-4-phenyl-3-piperazin-1-yl-5-propan-2-yloxyazepin-1-yl)-phenylmethanone Traditional Name: (5-isopropoxy-2-methyl-4-phenyl-3-piperazino-azepin-1-yl)-phenyl-methanone Formula: C27H31N3O2 MolecularWeight: 429.55394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=CN1C(=O)C2=CC=CC=C2)OC(C)C)C3=CC=CC=C3)N4CCNCC4

Isomeric SMILES

CC1=C(C(=C(C=CN1C(=O)C2=CC=CC=C2)OC(C)C)C3=CC=CC=C3)N4CCNCC4

InChI

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