N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-3-(4-nitrophenyl)-N-pentyl-prop-2-enamide

Systemtic Name: N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-3-(4-nitrophenyl)-N-pentyl-prop-2-enamide Openeye Name: 3-(4-nitrophenyl)-N-[[1-(o-tolylmethyl)pyrrol-2-yl]methyl]-N-pentyl-prop-2-enamide CAS Name: N-[[1-[(2-methylphenyl)methyl]-2-pyrrolyl]methyl]-3-(4-nitrophenyl)-N-pentyl-2-propenamide IUPAC Name: N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-3-(4-nitrophenyl)-N-pentylprop-2-enamide Traditional Name: N-amyl-N-[[1-(2-methylbenzyl)pyrrol-2-yl]methyl]-3-(4-nitrophenyl)acrylamide Formula: C27H31N3O3 MolecularWeight: 445.55334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC1=CC=CN1CC2=CC=CC=C2C)C(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCN(CC1=CC=CN1CC2=CC=CC=C2C)C(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C27H31N3O3/c1-3-4-7-18-29(27(31)17-14-23-12-15-25(16-13-23)30(32)33)21-26-11-8-19-28(26)20-24-10-6-5-9-22(24)2/h5-6,8-17,19H,3-4,7,18,20-21H2,1-2H3