1-[4-[6-(3-phenylazanyl-1,2,4-triazol-1-yl)pyrimidin-4-yl]-1,4-diazepan-1-yl]ethanone

Systemtic Name: 1-[4-[6-(3-phenylazanyl-1,2,4-triazol-1-yl)pyrimidin-4-yl]-1,4-diazepan-1-yl]ethanone Openeye Name: 1-[4-[6-(3-anilino-1,2,4-triazol-1-yl)pyrimidin-4-yl]-1,4-diazepan-1-yl]ethanone CAS Name: 1-[4-[6-(3-anilino-1,2,4-triazol-1-yl)-4-pyrimidinyl]-1,4-diazepan-1-yl]ethanone IUPAC Name: 1-[4-[6-(3-anilino-1,2,4-triazol-1-yl)pyrimidin-4-yl]-1,4-diazepan-1-yl]ethanone Traditional Name: 1-[4-[6-(3-anilino-1,2,4-triazol-1-yl)pyrimidin-4-yl]-1,4-diazepan-1-yl]ethanone Formula: C19H22N8O MolecularWeight: 378.43098

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(CC1)C2=NC=NC(=C2)N3C=NC(=N3)NC4=CC=CC=C4

Isomeric SMILES

CC(=O)N1CCCN(CC1)C2=NC=NC(=C2)N3C=NC(=N3)NC4=CC=CC=C4

InChI

InChI=1S/C19H22N8O/c1-15(28)25-8-5-9-26(11-10-25)17-12-18(21-13-20-17)27-14-22-19(24-27)23-16-6-3-2-4-7-16/h2-4,6-7,12-14H,5,8-11H2,1H3,(H,23,24)