2-[4-[3-(8-methyl-4-oxidanylidene-quinazolin-3-yl)propanoyl]piperazin-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-[3-(8-methyl-4-oxidanylidene-quinazolin-3-yl)propanoyl]piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[3-(8-methyl-4-oxo-quinazolin-3-yl)propanoyl]piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[3-(8-methyl-4-oxo-3-quinazolinyl)-1-oxopropyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-[3-(4-keto-8-methyl-quinazolin-3-yl)propanoyl]piperazino]isonicotinonitrile Formula: C22H22N6O2 MolecularWeight: 402.44908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=CN(C2=O)CCC(=O)N3CCN(CC3)C4=NC=CC(=C4)C#N

Isomeric SMILES

CC1=CC=CC2=C1N=CN(C2=O)CCC(=O)N3CCN(CC3)C4=NC=CC(=C4)C#N

InChI

InChI=1S/C22H22N6O2/c1-16-3-2-4-18-21(16)25-15-28(22(18)30)8-6-20(29)27-11-9-26(10-12-27)19-13-17(14-23)5-7-24-19/h2-5,7,13,15H,6,8-12H2,1H3