3-[[4-(2,5-dimethyl-4-prop-2-enyl-piperazin-1-yl)benzotriazol-1-yl]methyl]-N-ethyl-N-(4-fluorophenyl)benzamide

Systemtic Name: 3-[[4-(2,5-dimethyl-4-prop-2-enyl-piperazin-1-yl)benzotriazol-1-yl]methyl]-N-ethyl-N-(4-fluorophenyl)benzamide Openeye Name: 3-[[4-(4-allyl-2,5-dimethyl-piperazin-1-yl)benzotriazol-1-yl]methyl]-N-ethyl-N-(4-fluorophenyl)benzamide CAS Name: 3-[[4-(2,5-dimethyl-4-prop-2-enyl-1-piperazinyl)-1-benzotriazolyl]methyl]-N-ethyl-N-(4-fluorophenyl)benzamide IUPAC Name: 3-[[4-(2,5-dimethyl-4-prop-2-enylpiperazin-1-yl)benzotriazol-1-yl]methyl]-N-ethyl-N-(4-fluorophenyl)benzamide Traditional Name: 3-[[4-(4-allyl-2,5-dimethyl-piperazino)benzotriazol-1-yl]methyl]-N-ethyl-N-(4-fluorophenyl)benzamide Formula: C31H35FN6O MolecularWeight: 526.647603

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=C(C=C1)F)C(=O)C2=CC(=CC=C2)CN3C4=C(C(=CC=C4)N5CC(N(CC5C)CC=C)C)N=N3

Isomeric SMILES

CCN(C1=CC=C(C=C1)F)C(=O)C2=CC(=CC=C2)CN3C4=C(C(=CC=C4)N5CC(N(CC5C)CC=C)C)N=N3

InChI

InChI=1S/C31H35FN6O/c1-5-17-35-19-23(4)37(20-22(35)3)28-11-8-12-29-30(28)33-34-38(29)21-24-9-7-10-25(18-24)31(39)36(6-2)27-15-13-26(32)14-16-27/h5,7-16,18,22-23H,1,6,17,19-21H2,2-4H3