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

Systemtic Name: N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-nitro-N-pentyl-benzamide Openeye Name: N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-nitro-N-pentyl-benzamide CAS Name: N-[[1-[(3-chlorophenyl)methyl]-2-pyrrolyl]methyl]-3-nitro-N-pentylbenzamide IUPAC Name: N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-nitro-N-pentylbenzamide Traditional Name: N-amyl-N-[[1-(3-chlorobenzyl)pyrrol-2-yl]methyl]-3-nitro-benzamide Formula: C24H26ClN3O3 MolecularWeight: 439.93454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26ClN3O3/c1-2-3-4-13-27(24(29)20-9-6-11-22(16-20)28(30)31)18-23-12-7-14-26(23)17-19-8-5-10-21(25)15-19/h5-12,14-16H,2-4,13,17-18H2,1H3