4-[4-[3-(cyclohexa-1,5-dien-1-ylamino)-1,2,4-triazol-1-yl]pyridin-2-yl]-1-ethanoyl-6-methyl-piperazine-2-carboxamide

Systemtic Name: 4-[4-[3-(cyclohexa-1,5-dien-1-ylamino)-1,2,4-triazol-1-yl]pyridin-2-yl]-1-ethanoyl-6-methyl-piperazine-2-carboxamide Openeye Name: 1-acetyl-4-[4-[3-(cyclohexa-1,5-dien-1-ylamino)-1,2,4-triazol-1-yl]-2-pyridyl]-6-methyl-piperazine-2-carboxamide CAS Name: 1-acetyl-4-[4-[3-(1-cyclohexa-1,5-dienylamino)-1,2,4-triazol-1-yl]-2-pyridinyl]-6-methyl-2-piperazinecarboxamide IUPAC Name: 1-acetyl-4-[4-[3-(cyclohexa-1,5-dien-1-ylamino)-1,2,4-triazol-1-yl]pyridin-2-yl]-6-methylpiperazine-2-carboxamide Traditional Name: 1-acetyl-4-[4-[3-(cyclohexa-1,5-dien-1-ylamino)-1,2,4-triazol-1-yl]-2-pyridyl]-6-methyl-piperazine-2-carboxamide Formula: C21H26N8O2 MolecularWeight: 422.48354

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1C(=O)C)C(=O)N)C2=NC=CC(=C2)N3C=NC(=N3)NC4=CCCC=C4

Isomeric SMILES

CC1CN(CC(N1C(=O)C)C(=O)N)C2=NC=CC(=C2)N3C=NC(=N3)NC4=CCCC=C4

InChI

InChI=1S/C21H26N8O2/c1-14-11-27(12-18(20(22)31)29(14)15(2)30)19-10-17(8-9-23-19)28-13-24-21(26-28)25-16-6-4-3-5-7-16/h4,6-10,13-14,18H,3,5,11-12H2,1-2H3,(H2,22,31)(H,25,26)