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

Systemtic Name: N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-4-nitro-N-pentyl-benzamide Openeye Name: 4-nitro-N-[[1-(o-tolylmethyl)pyrrol-2-yl]methyl]-N-pentyl-benzamide CAS Name: N-[[1-[(2-methylphenyl)methyl]-2-pyrrolyl]methyl]-4-nitro-N-pentylbenzamide IUPAC Name: N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-4-nitro-N-pentylbenzamide Traditional Name: N-amyl-N-[[1-(2-methylbenzyl)pyrrol-2-yl]methyl]-4-nitro-benzamide Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC1=CC=CN1CC2=CC=CC=C2C)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCN(CC1=CC=CN1CC2=CC=CC=C2C)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H29N3O3/c1-3-4-7-16-27(25(29)21-12-14-23(15-13-21)28(30)31)19-24-11-8-17-26(24)18-22-10-6-5-9-20(22)2/h5-6,8-15,17H,3-4,7,16,18-19H2,1-2H3