N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-4-methyl-3-nitro-N-pentyl-benzamide

Systemtic Name: N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-4-methyl-3-nitro-N-pentyl-benzamide Openeye Name: N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-4-methyl-3-nitro-N-pentyl-benzamide CAS Name: N-[[1-[(3-chlorophenyl)methyl]-2-pyrrolyl]methyl]-4-methyl-3-nitro-N-pentylbenzamide IUPAC Name: N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-4-methyl-3-nitro-N-pentylbenzamide Traditional Name: N-amyl-N-[[1-(3-chlorobenzyl)pyrrol-2-yl]methyl]-4-methyl-3-nitro-benzamide Formula: C25H28ClN3O3 MolecularWeight: 453.96112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28ClN3O3/c1-3-4-5-13-28(25(30)21-12-11-19(2)24(16-21)29(31)32)18-23-10-7-14-27(23)17-20-8-6-9-22(26)15-20/h6-12,14-16H,3-5,13,17-18H2,1-2H3