1-methyl-8-phenylmethoxy-5-[3-(4-phenylpiperazin-1-yl)propyl]-7,8-dihydro-6H-pyrrolo[3,2-c]azepin-4-one

Systemtic Name: 1-methyl-8-phenylmethoxy-5-[3-(4-phenylpiperazin-1-yl)propyl]-7,8-dihydro-6H-pyrrolo[3,2-c]azepin-4-one Openeye Name: 8-benzyloxy-1-methyl-5-[3-(4-phenylpiperazin-1-yl)propyl]-7,8-dihydro-6H-pyrrolo[3,2-c]azepin-4-one CAS Name: 1-methyl-8-phenylmethoxy-5-[3-(4-phenyl-1-piperazinyl)propyl]-7,8-dihydro-6H-pyrrolo[3,2-c]azepin-4-one IUPAC Name: 1-methyl-8-phenylmethoxy-5-[3-(4-phenylpiperazin-1-yl)propyl]-7,8-dihydro-6H-pyrrolo[3,2-c]azepin-4-one Traditional Name: 8-benzoxy-1-methyl-5-[3-(4-phenylpiperazino)propyl]-7,8-dihydro-6H-pyrrol[3,2-c]azepin-4-one Formula: C29H36N4O2 MolecularWeight: 472.62174

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC2=C1C(CCN(C2=O)CCCN3CCN(CC3)C4=CC=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

CN1C=CC2=C1C(CCN(C2=O)CCCN3CCN(CC3)C4=CC=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C29H36N4O2/c1-30-17-13-26-28(30)27(35-23-24-9-4-2-5-10-24)14-18-33(29(26)34)16-8-15-31-19-21-32(22-20-31)25-11-6-3-7-12-25/h2-7,9-13,17,27H,8,14-16,18-23H2,1H3