4-[[2-[(2-cyanophenyl)carbonylamino]-4-oxidanylidene-quinazolin-3-yl]methyl]piperazine-1-carboxamide

Systemtic Name: 4-[[2-[(2-cyanophenyl)carbonylamino]-4-oxidanylidene-quinazolin-3-yl]methyl]piperazine-1-carboxamide Openeye Name: 4-[[2-[(2-cyanobenzoyl)amino]-4-oxo-quinazolin-3-yl]methyl]piperazine-1-carboxamide CAS Name: 4-[[2-[[(2-cyanophenyl)-oxomethyl]amino]-4-oxo-3-quinazolinyl]methyl]-1-piperazinecarboxamide IUPAC Name: 4-[[2-[(2-cyanobenzoyl)amino]-4-oxoquinazolin-3-yl]methyl]piperazine-1-carboxamide Traditional Name: 4-[[2-[(2-cyanobenzoyl)amino]-4-keto-quinazolin-3-yl]methyl]piperazine-1-carboxamide Formula: C22H21N7O3 MolecularWeight: 431.44724

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C(=O)C3=CC=CC=C3N=C2NC(=O)C4=CC=CC=C4C#N)C(=O)N

Isomeric SMILES

C1CN(CCN1CN2C(=O)C3=CC=CC=C3N=C2NC(=O)C4=CC=CC=C4C#N)C(=O)N

InChI

InChI=1S/C22H21N7O3/c23-13-15-5-1-2-6-16(15)19(30)26-22-25-18-8-4-3-7-17(18)20(31)29(22)14-27-9-11-28(12-10-27)21(24)32/h1-8H,9-12,14H2,(H2,24,32)(H,25,26,30)