2-[4-[3-(4-oxidanylidene-1H-quinazolin-2-yl)propanoyl]piperazin-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-[3-(4-oxidanylidene-1H-quinazolin-2-yl)propanoyl]piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[3-(4-oxo-1H-quinazolin-2-yl)propanoyl]piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[1-oxo-3-(4-oxo-1H-quinazolin-2-yl)propyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[3-(4-oxo-1H-quinazolin-2-yl)propanoyl]piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-[3-(4-keto-1H-quinazolin-2-yl)propanoyl]piperazino]isonicotinonitrile Formula: C21H20N6O2 MolecularWeight: 388.4225

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC(=C2)C#N)C(=O)CCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1CN(CCN1C2=NC=CC(=C2)C#N)C(=O)CCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C21H20N6O2/c22-14-15-7-8-23-19(13-15)26-9-11-27(12-10-26)20(28)6-5-18-24-17-4-2-1-3-16(17)21(29)25-18/h1-4,7-8,13H,5-6,9-12H2,(H,24,25,29)