2-chloranyl-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-5-(1,2,4-triazol-4-yl)benzamide

Systemtic Name: 2-chloranyl-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-5-(1,2,4-triazol-4-yl)benzamide Openeye Name: 2-chloro-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-5-(1,2,4-triazol-4-yl)benzamide CAS Name: 2-chloro-N-[4-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]phenyl]-5-(1,2,4-triazol-4-yl)benzamide IUPAC Name: 2-chloro-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-5-(1,2,4-triazol-4-yl)benzamide Traditional Name: 2-chloro-N-[4-(4-isobutyrylpiperazino)phenyl]-5-(1,2,4-triazol-4-yl)benzamide Formula: C23H25ClN6O2 MolecularWeight: 452.9366

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=C(C=CC(=C3)N4C=NN=C4)Cl

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=C(C=CC(=C3)N4C=NN=C4)Cl

InChI

InChI=1S/C23H25ClN6O2/c1-16(2)23(32)29-11-9-28(10-12-29)18-5-3-17(4-6-18)27-22(31)20-13-19(7-8-21(20)24)30-14-25-26-15-30/h3-8,13-16H,9-12H2,1-2H3,(H,27,31)