[4-(benzotriazol-1-ylmethyl)phenyl]-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]methanone

Systemtic Name: [4-(benzotriazol-1-ylmethyl)phenyl]-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]methanone Openeye Name: [4-(benzotriazol-1-ylmethyl)phenyl]-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]methanone CAS Name: [4-(1-benzotriazolylmethyl)phenyl]-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]methanone IUPAC Name: [4-(benzotriazol-1-ylmethyl)phenyl]-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone Traditional Name: [4-(benzotriazol-1-ylmethyl)phenyl]-[4-(5-chloro-2-methyl-phenyl)piperazino]methanone Formula: C25H24ClN5O MolecularWeight: 445.94396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3=CC=C(C=C3)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3=CC=C(C=C3)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C25H24ClN5O/c1-18-6-11-21(26)16-24(18)29-12-14-30(15-13-29)25(32)20-9-7-19(8-10-20)17-31-23-5-3-2-4-22(23)27-28-31/h2-11,16H,12-15,17H2,1H3