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

Systemtic Name: cyclopropyl-[4-[4-(1,4-diazepan-1-ylcarbonyl)-2-nitro-phenyl]-1,4-diazepan-1-yl]methanone Openeye Name: cyclopropyl-[4-[4-(1,4-diazepane-1-carbonyl)-2-nitro-phenyl]-1,4-diazepan-1-yl]methanone CAS Name: cyclopropyl-[4-[4-[1,4-diazepan-1-yl(oxo)methyl]-2-nitrophenyl]-1,4-diazepan-1-yl]methanone IUPAC Name: cyclopropyl-[4-[4-(1,4-diazepane-1-carbonyl)-2-nitrophenyl]-1,4-diazepan-1-yl]methanone Traditional Name: cyclopropyl-[4-[4-(1,4-diazepane-1-carbonyl)-2-nitro-phenyl]-1,4-diazepan-1-yl]methanone Formula: C21H29N5O4 MolecularWeight: 415.48606

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCCN(CC3)C(=O)C4CC4)[N+](=O)[O-]

Isomeric SMILES

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCCN(CC3)C(=O)C4CC4)[N+](=O)[O-]

InChI

InChI=1S/C21H29N5O4/c27-20(16-3-4-16)25-11-2-10-23(13-14-25)18-6-5-17(15-19(18)26(29)30)21(28)24-9-1-7-22-8-12-24/h5-6,15-16,22H,1-4,7-14H2