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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)N2CCOCC2)C3=C(C=C(C=C3)C(=O)N4CCNCC4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN(C1)C(=O)N2CCOCC2)C3=C(C=C(C=C3)C(=O)N4CCNCC4)[N+](=O)[O-]

InChI

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