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

Systemtic Name: N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(3-methoxypropyl)-4-methyl-3-nitro-benzamide Openeye Name: N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(3-methoxypropyl)-4-methyl-3-nitro-benzamide CAS Name: N-[[1-[(3-chlorophenyl)methyl]-2-pyrrolyl]methyl]-N-(3-methoxypropyl)-4-methyl-3-nitrobenzamide IUPAC Name: N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(3-methoxypropyl)-4-methyl-3-nitrobenzamide Traditional Name: N-[[1-(3-chlorobenzyl)pyrrol-2-yl]methyl]-N-(3-methoxypropyl)-4-methyl-3-nitro-benzamide Formula: C24H26ClN3O4 MolecularWeight: 455.93394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N(CCCOC)CC2=CC=CN2CC3=CC(=CC=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N(CCCOC)CC2=CC=CN2CC3=CC(=CC=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C24H26ClN3O4/c1-18-9-10-20(15-23(18)28(30)31)24(29)27(12-5-13-32-2)17-22-8-4-11-26(22)16-19-6-3-7-21(25)14-19/h3-4,6-11,14-15H,5,12-13,16-17H2,1-2H3