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

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(3-nitrophenyl)-1H-pyrido[2,3-d]pyrimidin-4-one Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(3-nitrophenyl)-1H-pyrido[2,3-d]pyrimidin-4-one CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(3-nitrophenyl)-1H-pyrido[2,3-d]pyrimidin-4-one IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(3-nitrophenyl)-1H-pyrido[2,3-d]pyrimidin-4-one Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(3-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(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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