N-butyl-N-[2-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl-cyclohexyl-amino]-2-oxidanylidene-ethyl]-4-ethyl-benzamide

Systemtic Name: N-butyl-N-[2-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl-cyclohexyl-amino]-2-oxidanylidene-ethyl]-4-ethyl-benzamide Openeye Name: N-butyl-N-[2-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl-cyclohexyl-amino]-2-oxo-ethyl]-4-ethyl-benzamide CAS Name: N-butyl-N-[2-[[1-[(2-chlorophenyl)methyl]-2-pyrrolyl]methyl-cyclohexylamino]-2-oxoethyl]-4-ethylbenzamide IUPAC Name: N-butyl-N-[2-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl-cyclohexylamino]-2-oxoethyl]-4-ethylbenzamide Traditional Name: N-butyl-N-[2-[[1-(2-chlorobenzyl)pyrrol-2-yl]methyl-cyclohexyl-amino]-2-keto-ethyl]-4-ethyl-benzamide Formula: C33H42ClN3O2 MolecularWeight: 548.15848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC(=O)N(CC1=CC=CN1CC2=CC=CC=C2Cl)C3CCCCC3)C(=O)C4=CC=C(C=C4)CC

Isomeric SMILES

CCCCN(CC(=O)N(CC1=CC=CN1CC2=CC=CC=C2Cl)C3CCCCC3)C(=O)C4=CC=C(C=C4)CC

InChI

InChI=1S/C33H42ClN3O2/c1-3-5-21-36(33(39)27-19-17-26(4-2)18-20-27)25-32(38)37(29-13-7-6-8-14-29)24-30-15-11-22-35(30)23-28-12-9-10-16-31(28)34/h9-12,15-20,22,29H,3-8,13-14,21,23-25H2,1-2H3