N-[[6-(azepan-1-yl)pyridin-3-yl]methyl]-4-(1,2,4-triazol-1-yl)benzamide

Systemtic Name: N-[[6-(azepan-1-yl)pyridin-3-yl]methyl]-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-[[6-(azepan-1-yl)-3-pyridyl]methyl]-4-(1,2,4-triazol-1-yl)benzamide CAS Name: N-[[6-(1-azepanyl)-3-pyridinyl]methyl]-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: N-[[6-(azepan-1-yl)pyridin-3-yl]methyl]-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-[[6-(azepan-1-yl)-3-pyridyl]methyl]-4-(1,2,4-triazol-1-yl)benzamide Formula: C21H24N6O MolecularWeight: 376.45486

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC=C(C=C2)CNC(=O)C3=CC=C(C=C3)N4C=NC=N4

Isomeric SMILES

C1CCCN(CC1)C2=NC=C(C=C2)CNC(=O)C3=CC=C(C=C3)N4C=NC=N4

InChI

InChI=1S/C21H24N6O/c28-21(18-6-8-19(9-7-18)27-16-22-15-25-27)24-14-17-5-10-20(23-13-17)26-11-3-1-2-4-12-26/h5-10,13,15-16H,1-4,11-12,14H2,(H,24,28)