3-azanyl-7-nitro-2-(phenylmethyl)-4-pyridin-2-yl-isoquinolin-1-one

Systemtic Name: 3-azanyl-7-nitro-2-(phenylmethyl)-4-pyridin-2-yl-isoquinolin-1-one Openeye Name: 3-amino-2-benzyl-7-nitro-4-(2-pyridyl)isoquinolin-1-one CAS Name: 3-amino-7-nitro-2-(phenylmethyl)-4-(2-pyridinyl)-1-isoquinolinone IUPAC Name: 3-amino-2-benzyl-7-nitro-4-pyridin-2-ylisoquinolin-1-one Traditional Name: 3-amino-2-benzyl-7-nitro-4-(2-pyridyl)isocarbostyril Formula: C21H16N4O3 MolecularWeight: 372.37674

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=C(C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C4=CC=CC=N4)N

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=C(C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C4=CC=CC=N4)N

InChI

InChI=1S/C21H16N4O3/c22-20-19(18-8-4-5-11-23-18)16-10-9-15(25(27)28)12-17(16)21(26)24(20)13-14-6-2-1-3-7-14/h1-12H,13,22H2