1-[[3-[3-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]prop-1-ynyl]phenyl]methyl]-1-oxidanyl-urea

Systemtic Name: 1-[[3-[3-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]prop-1-ynyl]phenyl]methyl]-1-oxidanyl-urea Openeye Name: 1-[[3-[3-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]prop-1-ynyl]phenyl]methyl]-1-hydroxy-urea CAS Name: 1-[[3-[3-[4-[(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]prop-1-ynyl]phenyl]methyl]-1-hydroxyurea IUPAC Name: 1-[[3-[3-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]prop-1-ynyl]phenyl]methyl]-1-hydroxyurea Traditional Name: 1-[3-[3-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino]prop-1-ynyl]benzyl]-1-hydroxy-urea Formula: C28H29ClN4O2 MolecularWeight: 489.00846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC#CC2=CC(=CC=C2)CN(C(=O)N)O)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1CC#CC2=CC(=CC=C2)CN(C(=O)N)O)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C28H29ClN4O2/c29-26-13-11-25(12-14-26)27(24-9-2-1-3-10-24)32-18-16-31(17-19-32)15-5-8-22-6-4-7-23(20-22)21-33(35)28(30)34/h1-4,6-7,9-14,20,27,35H,15-19,21H2,(H2,30,34)