1-(2-pyridin-3-ylquinazolin-4-yl)-1,4-diazepan-5-one

Systemtic Name: 1-(2-pyridin-3-ylquinazolin-4-yl)-1,4-diazepan-5-one Openeye Name: 1-[2-(3-pyridyl)quinazolin-4-yl]-1,4-diazepan-5-one CAS Name: 1-[2-(3-pyridinyl)-4-quinazolinyl]-1,4-diazepan-5-one IUPAC Name: 1-(2-pyridin-3-ylquinazolin-4-yl)-1,4-diazepan-5-one Traditional Name: 1-[2-(3-pyridyl)quinazolin-4-yl]-1,4-diazepan-5-one Formula: C18H17N5O MolecularWeight: 319.36048

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCNC1=O)C2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4

Isomeric SMILES

C1CN(CCNC1=O)C2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4

InChI

InChI=1S/C18H17N5O/c24-16-7-10-23(11-9-20-16)18-14-5-1-2-6-15(14)21-17(22-18)13-4-3-8-19-12-13/h1-6,8,12H,7,9-11H2,(H,20,24)