3-azanyl-7-nitro-2-[(1S)-1-phenylethyl]-4-pyridin-2-yl-isoquinolin-1-one

Systemtic Name: 3-azanyl-7-nitro-2-[(1S)-1-phenylethyl]-4-pyridin-2-yl-isoquinolin-1-one Openeye Name: 3-amino-7-nitro-2-[(1S)-1-phenylethyl]-4-(2-pyridyl)isoquinolin-1-one CAS Name: 3-amino-7-nitro-2-[(1S)-1-phenylethyl]-4-(2-pyridinyl)-1-isoquinolinone IUPAC Name: 3-amino-7-nitro-2-[(1S)-1-phenylethyl]-4-pyridin-2-ylisoquinolin-1-one Traditional Name: 3-amino-7-nitro-2-[(1S)-1-phenylethyl]-4-(2-pyridyl)isocarbostyril Formula: C22H18N4O3 MolecularWeight: 386.40332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2C(=C(C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C4=CC=CC=N4)N

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)N2C(=C(C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C4=CC=CC=N4)N

InChI

InChI=1S/C22H18N4O3/c1-14(15-7-3-2-4-8-15)25-21(23)20(19-9-5-6-12-24-19)17-11-10-16(26(28)29)13-18(17)22(25)27/h2-14H,23H2,1H3/t14-/m0/s1