1,4-diazepan-1-yl-[4-(4-morpholin-4-ylcarbonylpiperazin-1-yl)-3-nitro-phenyl]methanone

Systemtic Name: 1,4-diazepan-1-yl-[4-(4-morpholin-4-ylcarbonylpiperazin-1-yl)-3-nitro-phenyl]methanone Openeye Name: 1,4-diazepan-1-yl-[4-[4-(morpholine-4-carbonyl)piperazin-1-yl]-3-nitro-phenyl]methanone CAS Name: 1,4-diazepan-1-yl-[4-[4-[4-morpholinyl(oxo)methyl]-1-piperazinyl]-3-nitrophenyl]methanone IUPAC Name: 1,4-diazepan-1-yl-[4-[4-(morpholine-4-carbonyl)piperazin-1-yl]-3-nitrophenyl]methanone Traditional Name: 1,4-diazepan-1-yl-[4-[4-(morpholine-4-carbonyl)piperazino]-3-nitro-phenyl]methanone Formula: C21H30N6O5 MolecularWeight: 446.5001

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H30N6O5/c28-20(24-6-1-4-22-5-7-24)17-2-3-18(19(16-17)27(30)31)23-8-10-25(11-9-23)21(29)26-12-14-32-15-13-26/h2-3,16,22H,1,4-15H2