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

Systemtic Name: (3-methylphenyl)-[4-[(4-nitrophenyl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: m-tolyl-[4-[(4-nitrophenyl)methyl]-1,4-diazepan-1-yl]methanone CAS Name: (3-methylphenyl)-[4-[(4-nitrophenyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (3-methylphenyl)-[4-[(4-nitrophenyl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: m-tolyl-[4-(4-nitrobenzyl)-1,4-diazepan-1-yl]methanone Formula: C20H23N3O3 MolecularWeight: 353.41492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O3/c1-16-4-2-5-18(14-16)20(24)22-11-3-10-21(12-13-22)15-17-6-8-19(9-7-17)23(25)26/h2,4-9,14H,3,10-13,15H2,1H3