N-cyclohexyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-4-nitro-benzamide

Systemtic Name: N-cyclohexyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-4-nitro-benzamide Openeye Name: N-cyclohexyl-4-nitro-N-[[1-(o-tolylmethyl)pyrrol-2-yl]methyl]benzamide CAS Name: N-cyclohexyl-N-[[1-[(2-methylphenyl)methyl]-2-pyrrolyl]methyl]-4-nitrobenzamide IUPAC Name: N-cyclohexyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-4-nitrobenzamide Traditional Name: N-cyclohexyl-N-[[1-(2-methylbenzyl)pyrrol-2-yl]methyl]-4-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=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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