4-[4-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbonyl]phenyl]-1H-quinoxaline-2,3-dione

Systemtic Name: 4-[4-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbonyl]phenyl]-1H-quinoxaline-2,3-dione Openeye Name: 4-[4-(4-benzyl-1,4-diazepane-1-carbonyl)phenyl]-1H-quinoxaline-2,3-dione CAS Name: 4-[4-[oxo-[4-(phenylmethyl)-1,4-diazepan-1-yl]methyl]phenyl]-1H-quinoxaline-2,3-dione IUPAC Name: 4-[4-(4-benzyl-1,4-diazepane-1-carbonyl)phenyl]-1H-quinoxaline-2,3-dione Traditional Name: 4-[4-(4-benzyl-1,4-diazepane-1-carbonyl)phenyl]-1H-quinoxaline-2,3-quinone Formula: C27H26N4O3 MolecularWeight: 454.52034

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC=C(C=C2)N3C4=CC=CC=C4NC(=O)C3=O)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC=C(C=C2)N3C4=CC=CC=C4NC(=O)C3=O)CC5=CC=CC=C5

InChI

InChI=1S/C27H26N4O3/c32-25-27(34)31(24-10-5-4-9-23(24)28-25)22-13-11-21(12-14-22)26(33)30-16-6-15-29(17-18-30)19-20-7-2-1-3-8-20/h1-5,7-14H,6,15-19H2,(H,28,32)