3-[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]-N-(5-methyl-2-oxidanyl-phenyl)propanamide

Systemtic Name: 3-[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]-N-(5-methyl-2-oxidanyl-phenyl)propanamide Openeye Name: 3-[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2-hydroxy-5-methyl-phenyl)propanamide CAS Name: 3-[4-[bis(4-chlorophenyl)methyl]-1-piperazinyl]-N-(2-hydroxy-5-methylphenyl)propanamide IUPAC Name: 3-[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2-hydroxy-5-methylphenyl)propanamide Traditional Name: 3-[4-[bis(4-chlorophenyl)methyl]piperazino]-N-(2-hydroxy-5-methyl-phenyl)propionamide Formula: C27H29Cl2N3O2 MolecularWeight: 498.44406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)NC(=O)CCN2CCN(CC2)C(C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)O)NC(=O)CCN2CCN(CC2)C(C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H29Cl2N3O2/c1-19-2-11-25(33)24(18-19)30-26(34)12-13-31-14-16-32(17-15-31)27(20-3-7-22(28)8-4-20)21-5-9-23(29)10-6-21/h2-11,18,27,33H,12-17H2,1H3,(H,30,34)