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

Systemtic Name: 1-[4-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]but-2-ynyl]-1-oxidanyl-urea Openeye Name: 1-[4-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]but-2-ynyl]-1-hydroxy-urea CAS Name: 1-[4-[4-[(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]but-2-ynyl]-1-hydroxyurea IUPAC Name: 1-[4-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]but-2-ynyl]-1-hydroxyurea Traditional Name: 1-[4-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino]but-2-ynyl]-1-hydroxy-urea Formula: C22H25ClN4O2 MolecularWeight: 412.9125

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC#CCN(C(=O)N)O)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CCN1CC#CCN(C(=O)N)O)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H25ClN4O2/c23-20-10-8-19(9-11-20)21(18-6-2-1-3-7-18)26-16-14-25(15-17-26)12-4-5-13-27(29)22(24)28/h1-3,6-11,21,29H,12-17H2,(H2,24,28)