2-methyl-1-[4-[4-(3-phenylazanyl-1,2,4-triazol-1-yl)pyridin-2-yl]-1,4-diazepan-1-yl]propan-1-one

Systemtic Name: 2-methyl-1-[4-[4-(3-phenylazanyl-1,2,4-triazol-1-yl)pyridin-2-yl]-1,4-diazepan-1-yl]propan-1-one Openeye Name: 1-[4-[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridyl]-1,4-diazepan-1-yl]-2-methyl-propan-1-one CAS Name: 1-[4-[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-1,4-diazepan-1-yl]-2-methyl-1-propanone IUPAC Name: 1-[4-[4-(3-anilino-1,2,4-triazol-1-yl)pyridin-2-yl]-1,4-diazepan-1-yl]-2-methylpropan-1-one Traditional Name: 1-[4-[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridyl]-1,4-diazepan-1-yl]-2-methyl-propan-1-one Formula: C22H27N7O MolecularWeight: 405.49608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N7O/c1-17(2)21(30)28-12-6-11-27(13-14-28)20-15-19(9-10-23-20)29-16-24-22(26-29)25-18-7-4-3-5-8-18/h3-5,7-10,15-17H,6,11-14H2,1-2H3,(H,25,26)