(3-nitro-4-pyrrolidin-1-yl-phenyl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (3-nitro-4-pyrrolidin-1-yl-phenyl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (4-benzyl-1,4-diazepan-1-yl)-(3-nitro-4-pyrrolidin-1-yl-phenyl)methanone CAS Name: [3-nitro-4-(1-pyrrolidinyl)phenyl]-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (4-benzyl-1,4-diazepan-1-yl)-(3-nitro-4-pyrrolidin-1-ylphenyl)methanone Traditional Name: (4-benzyl-1,4-diazepan-1-yl)-(3-nitro-4-pyrrolidino-phenyl)methanone Formula: C23H28N4O3 MolecularWeight: 408.49342

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)N3CCCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)N3CCCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H28N4O3/c28-23(20-9-10-21(22(17-20)27(29)30)25-12-4-5-13-25)26-14-6-11-24(15-16-26)18-19-7-2-1-3-8-19/h1-3,7-10,17H,4-6,11-16,18H2