(4-methylphenyl)-[4-[(4-nitrophenyl)methyl]-1,4-diazepan-1-yl]methanone

Systemtic Name: (4-methylphenyl)-[4-[(4-nitrophenyl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: [4-[(4-nitrophenyl)methyl]-1,4-diazepan-1-yl]-(p-tolyl)methanone CAS Name: (4-methylphenyl)-[4-[(4-nitrophenyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (4-methylphenyl)-[4-[(4-nitrophenyl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: [4-(4-nitrobenzyl)-1,4-diazepan-1-yl]-(p-tolyl)methanone Formula: C20H23N3O3 MolecularWeight: 353.41492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O3/c1-16-3-7-18(8-4-16)20(24)22-12-2-11-21(13-14-22)15-17-5-9-19(10-6-17)23(25)26/h3-10H,2,11-15H2,1H3