1-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-[(2-nitrophenyl)amino]propan-1-one

Systemtic Name: 1-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-[(2-nitrophenyl)amino]propan-1-one Openeye Name: 3-(2-nitroanilino)-1-[4-(o-tolylmethyl)-1,4-diazepan-1-yl]propan-1-one CAS Name: 1-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-(2-nitroanilino)-1-propanone IUPAC Name: 1-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-(2-nitroanilino)propan-1-one Traditional Name: 1-[4-(2-methylbenzyl)-1,4-diazepan-1-yl]-3-(2-nitroanilino)propan-1-one Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCCN(CC2)C(=O)CCNC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CN2CCCN(CC2)C(=O)CCNC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O3/c1-18-7-2-3-8-19(18)17-24-13-6-14-25(16-15-24)22(27)11-12-23-20-9-4-5-10-21(20)26(28)29/h2-5,7-10,23H,6,11-17H2,1H3