2-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanyl-propyl]amino]-3-nitro-pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 2-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanyl-propyl]amino]-3-nitro-pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxy-propyl]amino]-3-nitro-pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]-3-nitro-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]-3-nitropyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxy-propyl]amino]-3-nitro-pyrido[1,2-a]pyrimidin-4-one Formula: C20H21N5O4 MolecularWeight: 395.41184

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CC(CNC3=C(C(=O)N4C=CC=CC4=N3)[N+](=O)[O-])O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CC(CNC3=C(C(=O)N4C=CC=CC4=N3)[N+](=O)[O-])O

InChI

InChI=1S/C20H21N5O4/c26-16(13-23-10-8-14-5-1-2-6-15(14)12-23)11-21-19-18(25(28)29)20(27)24-9-4-3-7-17(24)22-19/h1-7,9,16,21,26H,8,10-13H2