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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O3/c1-2-3-7-16-26(24(28)21-12-14-22(15-13-21)27(29)30)19-23-11-8-17-25(23)18-20-9-5-4-6-10-20/h4-6,8-15,17H,2-3,7,16,18-19H2,1H3