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

Systemtic Name: 3-azanyl-7-nitro-2-(phenylmethyl)-4-thiophen-2-yl-isoquinolin-1-one Openeye Name: 3-amino-2-benzyl-7-nitro-4-(2-thienyl)isoquinolin-1-one CAS Name: 3-amino-7-nitro-2-(phenylmethyl)-4-thiophen-2-yl-1-isoquinolinone IUPAC Name: 3-amino-2-benzyl-7-nitro-4-thiophen-2-ylisoquinolin-1-one Traditional Name: 3-amino-2-benzyl-7-nitro-4-(2-thienyl)isocarbostyril Formula: C20H15N3O3S MolecularWeight: 377.4164

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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=CS4)N

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=C(C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C4=CC=CS4)N

InChI

InChI=1S/C20H15N3O3S/c21-19-18(17-7-4-10-27-17)15-9-8-14(23(25)26)11-16(15)20(24)22(19)12-13-5-2-1-3-6-13/h1-11H,12,21H2