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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

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