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

Systemtic Name: 3-methyl-1-[4-[4-(3-phenylazanyl-1,2,4-triazol-1-yl)pyridin-2-yl]-1,4-diazepan-1-yl]butan-1-one Openeye Name: 1-[4-[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridyl]-1,4-diazepan-1-yl]-3-methyl-butan-1-one CAS Name: 1-[4-[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-1,4-diazepan-1-yl]-3-methyl-1-butanone IUPAC Name: 1-[4-[4-(3-anilino-1,2,4-triazol-1-yl)pyridin-2-yl]-1,4-diazepan-1-yl]-3-methylbutan-1-one Traditional Name: 1-[4-[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridyl]-1,4-diazepan-1-yl]-3-methyl-butan-1-one Formula: C23H29N7O MolecularWeight: 419.52266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N7O/c1-18(2)15-22(31)29-12-6-11-28(13-14-29)21-16-20(9-10-24-21)30-17-25-23(27-30)26-19-7-4-3-5-8-19/h3-5,7-10,16-18H,6,11-15H2,1-2H3,(H,26,27)