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

Systemtic Name: 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]propan-1-one CAS Name: 1-[4-[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-1,4-diazepan-1-yl]-1-propanone IUPAC Name: 1-[4-[4-(3-anilino-1,2,4-triazol-1-yl)pyridin-2-yl]-1,4-diazepan-1-yl]propan-1-one Traditional Name: 1-[4-[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridyl]-1,4-diazepan-1-yl]propan-1-one Formula: C21H25N7O MolecularWeight: 391.4695

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N7O/c1-2-20(29)27-12-6-11-26(13-14-27)19-15-18(9-10-22-19)28-16-23-21(25-28)24-17-7-4-3-5-8-17/h3-5,7-10,15-16H,2,6,11-14H2,1H3,(H,24,25)