N-[5-(phenylmethyl)-1H-1,2,4-triazol-3-yl]-4-pyrimidin-2-yl-1,4-diazepane-1-carboxamide

Systemtic Name: N-[5-(phenylmethyl)-1H-1,2,4-triazol-3-yl]-4-pyrimidin-2-yl-1,4-diazepane-1-carboxamide Openeye Name: N-(5-benzyl-1H-1,2,4-triazol-3-yl)-4-pyrimidin-2-yl-1,4-diazepane-1-carboxamide CAS Name: N-[5-(phenylmethyl)-1H-1,2,4-triazol-3-yl]-4-(2-pyrimidinyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-(5-benzyl-1H-1,2,4-triazol-3-yl)-4-pyrimidin-2-yl-1,4-diazepane-1-carboxamide Traditional Name: N-(5-benzyl-1H-1,2,4-triazol-3-yl)-4-(2-pyrimidyl)-1,4-diazepane-1-carboxamide Formula: C19H22N8O MolecularWeight: 378.43098

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NC2=NNC(=N2)CC3=CC=CC=C3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN(C1)C(=O)NC2=NNC(=N2)CC3=CC=CC=C3)C4=NC=CC=N4

InChI

InChI=1S/C19H22N8O/c28-19(23-17-22-16(24-25-17)14-15-6-2-1-3-7-15)27-11-5-10-26(12-13-27)18-20-8-4-9-21-18/h1-4,6-9H,5,10-14H2,(H2,22,23,24,25,28)