(3S)-3-methyl-7-[4-(2-phenoxyethanoyl)piperazin-1-yl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione

Systemtic Name: (3S)-3-methyl-7-[4-(2-phenoxyethanoyl)piperazin-1-yl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione Openeye Name: (3S)-3-methyl-7-[4-(2-phenoxyacetyl)piperazin-1-yl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione CAS Name: (3S)-3-methyl-7-[4-(1-oxo-2-phenoxyethyl)-1-piperazinyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione IUPAC Name: (3S)-3-methyl-7-[4-(2-phenoxyacetyl)piperazin-1-yl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione Traditional Name: (3S)-3-methyl-7-[4-(2-phenoxyacetyl)piperazino]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-quinone Formula: C22H24N4O4 MolecularWeight: 408.45036

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(C=C(C=C2)N3CCN(CC3)C(=O)COC4=CC=CC=C4)C(=O)N1

Isomeric SMILES

C[C@H]1C(=O)NC2=C(C=C(C=C2)N3CCN(CC3)C(=O)COC4=CC=CC=C4)C(=O)N1

InChI

InChI=1S/C22H24N4O4/c1-15-21(28)24-19-8-7-16(13-18(19)22(29)23-15)25-9-11-26(12-10-25)20(27)14-30-17-5-3-2-4-6-17/h2-8,13,15H,9-12,14H2,1H3,(H,23,29)(H,24,28)/t15-/m0/s1