1-[1-[5-(3-chlorophenyl)-1,2,4-triazin-3-yl]piperidin-3-yl]-3-methyl-butan-1-one

Systemtic Name: 1-[1-[5-(3-chlorophenyl)-1,2,4-triazin-3-yl]piperidin-3-yl]-3-methyl-butan-1-one Openeye Name: 1-[1-[5-(3-chlorophenyl)-1,2,4-triazin-3-yl]-3-piperidyl]-3-methyl-butan-1-one CAS Name: 1-[1-[5-(3-chlorophenyl)-1,2,4-triazin-3-yl]-3-piperidinyl]-3-methyl-1-butanone IUPAC Name: 1-[1-[5-(3-chlorophenyl)-1,2,4-triazin-3-yl]piperidin-3-yl]-3-methylbutan-1-one Traditional Name: 1-[1-[5-(3-chlorophenyl)-1,2,4-triazin-3-yl]-3-piperidyl]-3-methyl-butan-1-one Formula: C19H23ClN4O MolecularWeight: 358.86512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C1CCCN(C1)C2=NC(=CN=N2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C)CC(=O)C1CCCN(C1)C2=NC(=CN=N2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H23ClN4O/c1-13(2)9-18(25)15-6-4-8-24(12-15)19-22-17(11-21-23-19)14-5-3-7-16(20)10-14/h3,5,7,10-11,13,15H,4,6,8-9,12H2,1-2H3