[4-[4-(1,4-diazepan-1-ylcarbonyl)-2-nitro-phenyl]-1,4-diazepan-1-yl]-phenyl-methanone

Systemtic Name: [4-[4-(1,4-diazepan-1-ylcarbonyl)-2-nitro-phenyl]-1,4-diazepan-1-yl]-phenyl-methanone Openeye Name: [4-[4-(1,4-diazepane-1-carbonyl)-2-nitro-phenyl]-1,4-diazepan-1-yl]-phenyl-methanone CAS Name: [4-[4-[1,4-diazepan-1-yl(oxo)methyl]-2-nitrophenyl]-1,4-diazepan-1-yl]-phenylmethanone IUPAC Name: [4-[4-(1,4-diazepane-1-carbonyl)-2-nitrophenyl]-1,4-diazepan-1-yl]-phenylmethanone Traditional Name: [4-[4-(1,4-diazepane-1-carbonyl)-2-nitro-phenyl]-1,4-diazepan-1-yl]-phenyl-methanone Formula: C24H29N5O4 MolecularWeight: 451.51816

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCCN(CC3)C(=O)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCCN(CC3)C(=O)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H29N5O4/c30-23(19-6-2-1-3-7-19)28-14-5-13-26(16-17-28)21-9-8-20(18-22(21)29(32)33)24(31)27-12-4-10-25-11-15-27/h1-3,6-9,18,25H,4-5,10-17H2