N-cyclohexyl-4-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-3-nitro-benzamide

Systemtic Name: N-cyclohexyl-4-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-3-nitro-benzamide Openeye Name: N-cyclohexyl-4-methyl-3-nitro-N-[[1-(o-tolylmethyl)pyrrol-2-yl]methyl]benzamide CAS Name: N-cyclohexyl-4-methyl-N-[[1-[(2-methylphenyl)methyl]-2-pyrrolyl]methyl]-3-nitrobenzamide IUPAC Name: N-cyclohexyl-4-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-3-nitrobenzamide Traditional Name: N-cyclohexyl-4-methyl-N-[[1-(2-methylbenzyl)pyrrol-2-yl]methyl]-3-nitro-benzamide Formula: C27H31N3O3 MolecularWeight: 445.55334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N(CC2=CC=CN2CC3=CC=CC=C3C)C4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N(CC2=CC=CN2CC3=CC=CC=C3C)C4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C27H31N3O3/c1-20-9-6-7-10-23(20)18-28-16-8-13-25(28)19-29(24-11-4-3-5-12-24)27(31)22-15-14-21(2)26(17-22)30(32)33/h6-10,13-17,24H,3-5,11-12,18-19H2,1-2H3