(4-methyl-3-nitro-phenyl)-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone

Systemtic Name: (4-methyl-3-nitro-phenyl)-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: (4-methyl-3-nitro-phenyl)-[4-(o-tolylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (4-methyl-3-nitrophenyl)-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (4-methyl-3-nitrophenyl)-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: [4-(2-methylbenzyl)-1,4-diazepan-1-yl]-(4-methyl-3-nitro-phenyl)methanone Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCCN(CC2)CC3=CC=CC=C3C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCCN(CC2)CC3=CC=CC=C3C)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O3/c1-16-6-3-4-7-19(16)15-22-10-5-11-23(13-12-22)21(25)18-9-8-17(2)20(14-18)24(26)27/h3-4,6-9,14H,5,10-13,15H2,1-2H3