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

Systemtic Name: (4-tert-butylphenyl)-[4-(2-nitro-4-piperazin-1-ylcarbonyl-phenyl)-1,4-diazepan-1-yl]methanone Openeye Name: (4-tert-butylphenyl)-[4-[2-nitro-4-(piperazine-1-carbonyl)phenyl]-1,4-diazepan-1-yl]methanone CAS Name: (4-tert-butylphenyl)-[4-[2-nitro-4-[oxo(1-piperazinyl)methyl]phenyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (4-tert-butylphenyl)-[4-[2-nitro-4-(piperazine-1-carbonyl)phenyl]-1,4-diazepan-1-yl]methanone Traditional Name: (4-tert-butylphenyl)-[4-[2-nitro-4-(piperazine-1-carbonyl)phenyl]-1,4-diazepan-1-yl]methanone Formula: C27H35N5O4 MolecularWeight: 493.5979

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)N4CCNCC4)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)N4CCNCC4)[N+](=O)[O-]

InChI

InChI=1S/C27H35N5O4/c1-27(2,3)22-8-5-20(6-9-22)25(33)30-14-4-13-29(17-18-30)23-10-7-21(19-24(23)32(35)36)26(34)31-15-11-28-12-16-31/h5-10,19,28H,4,11-18H2,1-3H3