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

Systemtic Name: 4-methyl-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-3-nitro-N-pentyl-benzamide Openeye Name: 4-methyl-N-[[1-(m-tolylmethyl)pyrrol-2-yl]methyl]-3-nitro-N-pentyl-benzamide CAS Name: 4-methyl-N-[[1-[(3-methylphenyl)methyl]-2-pyrrolyl]methyl]-3-nitro-N-pentylbenzamide IUPAC Name: 4-methyl-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-3-nitro-N-pentylbenzamide Traditional Name: N-amyl-4-methyl-N-[[1-(3-methylbenzyl)pyrrol-2-yl]methyl]-3-nitro-benzamide Formula: C26H31N3O3 MolecularWeight: 433.54264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC1=CC=CN1CC2=CC=CC(=C2)C)C(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCCCCN(CC1=CC=CN1CC2=CC=CC(=C2)C)C(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C26H31N3O3/c1-4-5-6-14-28(26(30)23-13-12-21(3)25(17-23)29(31)32)19-24-11-8-15-27(24)18-22-10-7-9-20(2)16-22/h7-13,15-17H,4-6,14,18-19H2,1-3H3