N-cyclohexyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-3-nitro-benzamide

Systemtic Name: N-cyclohexyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-3-nitro-benzamide Openeye Name: N-cyclohexyl-3-nitro-N-[[1-(o-tolylmethyl)pyrrol-2-yl]methyl]benzamide CAS Name: N-cyclohexyl-N-[[1-[(2-methylphenyl)methyl]-2-pyrrolyl]methyl]-3-nitrobenzamide IUPAC Name: N-cyclohexyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-3-nitrobenzamide Traditional Name: N-cyclohexyl-N-[[1-(2-methylbenzyl)pyrrol-2-yl]methyl]-3-nitro-benzamide Formula: C26H29N3O3 MolecularWeight: 431.52676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=CC=C2CN(C3CCCCC3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CN2C=CC=C2CN(C3CCCCC3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H29N3O3/c1-20-9-5-6-10-22(20)18-27-16-8-15-25(27)19-28(23-12-3-2-4-13-23)26(30)21-11-7-14-24(17-21)29(31)32/h5-11,14-17,23H,2-4,12-13,18-19H2,1H3