3-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazine-1-carbonyl]benzonitrile CAS Name: 3-[[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 3-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazine-1-carbonyl]benzonitrile Traditional Name: 3-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazine-1-carbonyl]benzonitrile Formula: C22H22N6O3 MolecularWeight: 418.44848

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4=CC=CC(=C4)C#N)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4=CC=CC(=C4)C#N)N)OC

InChI

InChI=1S/C22H22N6O3/c1-30-18-11-16-17(12-19(18)31-2)25-22(26-20(16)24)28-8-6-27(7-9-28)21(29)15-5-3-4-14(10-15)13-23/h3-5,10-12H,6-9H2,1-2H3,(H2,24,25,26)