5-butyl-7-methyl-6-[4-(4-phenylmethoxyphenyl)carbonylpiperazin-1-yl]-5,6-dihydro-1H-pyrrolo[2,3-c]azepine-4,8-dione

Systemtic Name: 5-butyl-7-methyl-6-[4-(4-phenylmethoxyphenyl)carbonylpiperazin-1-yl]-5,6-dihydro-1H-pyrrolo[2,3-c]azepine-4,8-dione Openeye Name: 6-[4-(4-benzyloxybenzoyl)piperazin-1-yl]-5-butyl-7-methyl-5,6-dihydro-1H-pyrrolo[2,3-c]azepine-4,8-dione CAS Name: 5-butyl-7-methyl-6-[4-[oxo-(4-phenylmethoxyphenyl)methyl]-1-piperazinyl]-5,6-dihydro-1H-pyrrolo[2,3-c]azepine-4,8-dione IUPAC Name: 5-butyl-7-methyl-6-[4-(4-phenylmethoxybenzoyl)piperazin-1-yl]-5,6-dihydro-1H-pyrrolo[2,3-c]azepine-4,8-dione Traditional Name: 6-[4-(4-benzoxybenzoyl)piperazino]-5-butyl-7-methyl-5,6-dihydro-1H-pyrrol[2,3-c]azepine-4,8-quinone Formula: C31H36N4O4 MolecularWeight: 528.64194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(N(C(=O)C2=C(C1=O)C=CN2)C)N3CCN(CC3)C(=O)C4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

CCCCC1C(N(C(=O)C2=C(C1=O)C=CN2)C)N3CCN(CC3)C(=O)C4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C31H36N4O4/c1-3-4-10-26-28(36)25-15-16-32-27(25)31(38)33(2)29(26)34-17-19-35(20-18-34)30(37)23-11-13-24(14-12-23)39-21-22-8-6-5-7-9-22/h5-9,11-16,26,29,32H,3-4,10,17-21H2,1-2H3