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

Systemtic Name: [4-(dimethylamino)-3-nitro-phenyl]-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (4-benzyl-1,4-diazepan-1-yl)-[4-(dimethylamino)-3-nitro-phenyl]methanone CAS Name: [4-(dimethylamino)-3-nitrophenyl]-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (4-benzyl-1,4-diazepan-1-yl)-[4-(dimethylamino)-3-nitrophenyl]methanone Traditional Name: (4-benzyl-1,4-diazepan-1-yl)-[4-(dimethylamino)-3-nitro-phenyl]methanone Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C(=O)N2CCCN(CC2)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C(=O)N2CCCN(CC2)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O3/c1-22(2)19-10-9-18(15-20(19)25(27)28)21(26)24-12-6-11-23(13-14-24)16-17-7-4-3-5-8-17/h3-5,7-10,15H,6,11-14,16H2,1-2H3