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

Systemtic Name: 3-[benzotriazol-1-yl-(2,5-dimethyl-4-prop-2-enyl-piperazin-1-yl)methyl]-N-ethyl-N-(4-fluorophenyl)benzamide Openeye Name: 3-[(4-allyl-2,5-dimethyl-piperazin-1-yl)-(benzotriazol-1-yl)methyl]-N-ethyl-N-(4-fluorophenyl)benzamide CAS Name: 3-[1-benzotriazolyl-(2,5-dimethyl-4-prop-2-enyl-1-piperazinyl)methyl]-N-ethyl-N-(4-fluorophenyl)benzamide IUPAC Name: 3-[benzotriazol-1-yl-(2,5-dimethyl-4-prop-2-enylpiperazin-1-yl)methyl]-N-ethyl-N-(4-fluorophenyl)benzamide Traditional Name: 3-[(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)C(N3CC(N(CC3C)CC=C)C)N4C5=CC=CC=C5N=N4

Isomeric SMILES

CCN(C1=CC=C(C=C1)F)C(=O)C2=CC(=CC=C2)C(N3CC(N(CC3C)CC=C)C)N4C5=CC=CC=C5N=N4

InChI

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