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

Systemtic Name: N-butyl-4-methyl-3-nitro-N-[[1-(phenylmethyl)pyrrol-2-yl]methyl]benzamide Openeye Name: N-[(1-benzylpyrrol-2-yl)methyl]-N-butyl-4-methyl-3-nitro-benzamide CAS Name: N-butyl-4-methyl-3-nitro-N-[[1-(phenylmethyl)-2-pyrrolyl]methyl]benzamide IUPAC Name: N-[(1-benzylpyrrol-2-yl)methyl]-N-butyl-4-methyl-3-nitrobenzamide Traditional Name: N-[(1-benzylpyrrol-2-yl)methyl]-N-butyl-4-methyl-3-nitro-benzamide Formula: C24H27N3O3 MolecularWeight: 405.48948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O3/c1-3-4-14-26(24(28)21-13-12-19(2)23(16-21)27(29)30)18-22-11-8-15-25(22)17-20-9-6-5-7-10-20/h5-13,15-16H,3-4,14,17-18H2,1-2H3