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

Systemtic Name: N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-4-methyl-3-nitro-benzamide Openeye Name: N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-4-methyl-3-nitro-benzamide CAS Name: N-[[1-[(2-chlorophenyl)methyl]-2-pyrrolyl]methyl]-N-cyclohexyl-4-methyl-3-nitrobenzamide IUPAC Name: N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-4-methyl-3-nitrobenzamide Traditional Name: N-[[1-(2-chlorobenzyl)pyrrol-2-yl]methyl]-N-cyclohexyl-4-methyl-3-nitro-benzamide Formula: C26H28ClN3O3 MolecularWeight: 465.97182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N(CC2=CC=CN2CC3=CC=CC=C3Cl)C4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N(CC2=CC=CN2CC3=CC=CC=C3Cl)C4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C26H28ClN3O3/c1-19-13-14-20(16-25(19)30(32)33)26(31)29(22-9-3-2-4-10-22)18-23-11-7-15-28(23)17-21-8-5-6-12-24(21)27/h5-8,11-16,22H,2-4,9-10,17-18H2,1H3