2-(5-chloranyl-3-phenyl-indazol-1-yl)-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one

Systemtic Name: 2-(5-chloranyl-3-phenyl-indazol-1-yl)-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-(5-chloro-3-phenyl-indazol-1-yl)propan-1-one CAS Name: 2-(5-chloro-3-phenyl-1-indazolyl)-1-[4-(phenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-(5-chloro-3-phenylindazol-1-yl)propan-1-one Traditional Name: 1-(4-benzylpiperazino)-2-(5-chloro-3-phenyl-indazol-1-yl)propan-1-one Formula: C27H27ClN4O MolecularWeight: 458.98248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)N3C4=C(C=C(C=C4)Cl)C(=N3)C5=CC=CC=C5

Isomeric SMILES

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)N3C4=C(C=C(C=C4)Cl)C(=N3)C5=CC=CC=C5

InChI

InChI=1S/C27H27ClN4O/c1-20(27(33)31-16-14-30(15-17-31)19-21-8-4-2-5-9-21)32-25-13-12-23(28)18-24(25)26(29-32)22-10-6-3-7-11-22/h2-13,18,20H,14-17,19H2,1H3