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

Systemtic Name: N-cyclohexyl-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-3-nitro-benzamide Openeye Name: N-cyclohexyl-N-[[1-(m-tolylmethyl)pyrrol-2-yl]methyl]-3-nitro-benzamide CAS Name: N-cyclohexyl-N-[[1-[(3-methylphenyl)methyl]-2-pyrrolyl]methyl]-3-nitrobenzamide IUPAC Name: N-cyclohexyl-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-3-nitrobenzamide Traditional Name: N-cyclohexyl-N-[[1-(3-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=C1)CN2C=CC=C2CN(C3CCCCC3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=CC=C2CN(C3CCCCC3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

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