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

Systemtic Name: N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-3-nitro-N-pentyl-benzamide Openeye Name: N-[[1-(m-tolylmethyl)pyrrol-2-yl]methyl]-3-nitro-N-pentyl-benzamide CAS Name: N-[[1-[(3-methylphenyl)methyl]-2-pyrrolyl]methyl]-3-nitro-N-pentylbenzamide IUPAC Name: N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-3-nitro-N-pentylbenzamide Traditional Name: N-amyl-N-[[1-(3-methylbenzyl)pyrrol-2-yl]methyl]-3-nitro-benzamide Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O3/c1-3-4-5-14-27(25(29)22-11-7-12-23(17-22)28(30)31)19-24-13-8-15-26(24)18-21-10-6-9-20(2)16-21/h6-13,15-17H,3-5,14,18-19H2,1-2H3