2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(4-nitrophenyl)-1H-pyrido[2,3-d]pyrimidin-4-one

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(4-nitrophenyl)-1H-pyrido[2,3-d]pyrimidin-4-one Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(4-nitrophenyl)-1H-pyrido[2,3-d]pyrimidin-4-one CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(4-nitrophenyl)-1H-pyrido[2,3-d]pyrimidin-4-one IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(4-nitrophenyl)-1H-pyrido[2,3-d]pyrimidin-4-one Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(4-nitrophenyl)-1H-pyrido[2,3-d]pyrimidin-4-one Formula: C22H17N5O3 MolecularWeight: 399.40208

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=NC(=O)C4=C(C=CN=C4N3)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=NC(=O)C4=C(C=CN=C4N3)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H17N5O3/c28-21-19-18(15-5-7-17(8-6-15)27(29)30)9-11-23-20(19)24-22(25-21)26-12-10-14-3-1-2-4-16(14)13-26/h1-9,11H,10,12-13H2,(H,23,24,25,28)