N-[2-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]-3-nitro-benzamide

Systemtic Name: N-[2-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: 3-nitro-N-[2-[4-(o-tolylmethyl)-1,4-diazepan-1-yl]-2-oxo-ethyl]benzamide CAS Name: N-[2-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-[2-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-[2-keto-2-[4-(2-methylbenzyl)-1,4-diazepan-1-yl]ethyl]-3-nitro-benzamide Formula: C22H26N4O4 MolecularWeight: 410.46624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O4/c1-17-6-2-3-7-19(17)16-24-10-5-11-25(13-12-24)21(27)15-23-22(28)18-8-4-9-20(14-18)26(29)30/h2-4,6-9,14H,5,10-13,15-16H2,1H3,(H,23,28)