1-[4-[4-[4-[4-[(R)-(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]but-2-ynoxy]phenyl]but-3-ynyl]-1-oxidanyl-urea

Systemtic Name: 1-[4-[4-[4-[4-[(R)-(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]but-2-ynoxy]phenyl]but-3-ynyl]-1-oxidanyl-urea Openeye Name: 1-[4-[4-[4-[4-[(R)-(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]but-2-ynoxy]phenyl]but-3-ynyl]-1-hydroxy-urea CAS Name: 1-[4-[4-[4-[4-[(R)-(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]but-2-ynoxy]phenyl]but-3-ynyl]-1-hydroxyurea IUPAC Name: 1-[4-[4-[4-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]but-2-ynoxy]phenyl]but-3-ynyl]-1-hydroxyurea Traditional Name: 1-[4-[4-[4-[4-[(R)-(4-chlorophenyl)-phenyl-methyl]piperazino]but-2-ynoxy]phenyl]but-3-ynyl]-1-hydroxy-urea Formula: C32H33ClN4O3 MolecularWeight: 557.08242

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC#CCOC2=CC=C(C=C2)C#CCCN(C(=O)N)O)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1CC#CCOC2=CC=C(C=C2)C#CCCN(C(=O)N)O)[C@H](C3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C32H33ClN4O3/c33-29-15-13-28(14-16-29)31(27-9-2-1-3-10-27)36-23-21-35(22-24-36)19-6-7-25-40-30-17-11-26(12-18-30)8-4-5-20-37(39)32(34)38/h1-3,9-18,31,39H,5,19-25H2,(H2,34,38)/t31-/m1/s1