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

Systemtic Name: 3-[benzotriazol-1-yl-(2,5-dimethyl-4-prop-2-enyl-piperazin-1-yl)methyl]-N-(3-fluorophenyl)-N-methyl-benzamide Openeye Name: 3-[(4-allyl-2,5-dimethyl-piperazin-1-yl)-(benzotriazol-1-yl)methyl]-N-(3-fluorophenyl)-N-methyl-benzamide CAS Name: 3-[1-benzotriazolyl-(2,5-dimethyl-4-prop-2-enyl-1-piperazinyl)methyl]-N-(3-fluorophenyl)-N-methylbenzamide IUPAC Name: 3-[benzotriazol-1-yl-(2,5-dimethyl-4-prop-2-enylpiperazin-1-yl)methyl]-N-(3-fluorophenyl)-N-methylbenzamide Traditional Name: 3-[(4-allyl-2,5-dimethyl-piperazino)-(benzotriazol-1-yl)methyl]-N-(3-fluorophenyl)-N-methyl-benzamide Formula: C30H33FN6O MolecularWeight: 512.621023

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1C(C2=CC=CC(=C2)C(=O)N(C)C3=CC(=CC=C3)F)N4C5=CC=CC=C5N=N4)C)CC=C

Isomeric SMILES

CC1CN(C(CN1C(C2=CC=CC(=C2)C(=O)N(C)C3=CC(=CC=C3)F)N4C5=CC=CC=C5N=N4)C)CC=C

InChI

InChI=1S/C30H33FN6O/c1-5-16-35-19-22(3)36(20-21(35)2)29(37-28-15-7-6-14-27(28)32-33-37)23-10-8-11-24(17-23)30(38)34(4)26-13-9-12-25(31)18-26/h5-15,17-18,21-22,29H,1,16,19-20H2,2-4H3