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

Systemtic Name: 1-[4-[4-(3-phenylazanyl-1,2,4-triazol-1-yl)pyridin-2-yl]-1,4-diazepan-1-yl]ethanone Openeye Name: 1-[4-[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridyl]-1,4-diazepan-1-yl]ethanone CAS Name: 1-[4-[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-1,4-diazepan-1-yl]ethanone IUPAC Name: 1-[4-[4-(3-anilino-1,2,4-triazol-1-yl)pyridin-2-yl]-1,4-diazepan-1-yl]ethanone Traditional Name: 1-[4-[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridyl]-1,4-diazepan-1-yl]ethanone Formula: C20H23N7O MolecularWeight: 377.44292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N7O/c1-16(28)25-10-5-11-26(13-12-25)19-14-18(8-9-21-19)27-15-22-20(24-27)23-17-6-3-2-4-7-17/h2-4,6-9,14-15H,5,10-13H2,1H3,(H,23,24)