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

Systemtic Name: N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]-3-nitro-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-3-nitro-N-[[1-(p-tolylmethyl)pyrrol-2-yl]methyl]benzamide CAS Name: N-[[1-[(4-methylphenyl)methyl]-2-pyrrolyl]methyl]-3-nitro-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]-3-nitrobenzamide Traditional Name: N-benzyl-N-[[1-(4-methylbenzyl)pyrrol-2-yl]methyl]-3-nitro-benzamide Formula: C27H25N3O3 MolecularWeight: 439.5057

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=CC=C2CN(CC3=CC=CC=C3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=CC=C2CN(CC3=CC=CC=C3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H25N3O3/c1-21-12-14-23(15-13-21)18-28-16-6-11-26(28)20-29(19-22-7-3-2-4-8-22)27(31)24-9-5-10-25(17-24)30(32)33/h2-17H,18-20H2,1H3