1-azanyl-N-[2-[[3-(1-hydroxyethyl)phenyl]-phenyl-amino]-2-oxidanylidene-ethyl]-N-phenyl-isoquinoline-7-carboxamide

Systemtic Name: 1-azanyl-N-[2-[[3-(1-hydroxyethyl)phenyl]-phenyl-amino]-2-oxidanylidene-ethyl]-N-phenyl-isoquinoline-7-carboxamide Openeye Name: 1-amino-N-[2-(N-[3-(1-hydroxyethyl)phenyl]anilino)-2-oxo-ethyl]-N-phenyl-isoquinoline-7-carboxamide CAS Name: 1-amino-N-[2-(N-[3-(1-hydroxyethyl)phenyl]anilino)-2-oxoethyl]-N-phenyl-7-isoquinolinecarboxamide IUPAC Name: 1-amino-N-[2-(N-[3-(1-hydroxyethyl)phenyl]anilino)-2-oxoethyl]-N-phenylisoquinoline-7-carboxamide Traditional Name: 1-amino-N-[2-(N-[3-(1-hydroxyethyl)phenyl]anilino)-2-keto-ethyl]-N-phenyl-isoquinoline-7-carboxamide Formula: C32H28N4O3 MolecularWeight: 516.58972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)N(C2=CC=CC=C2)C(=O)CN(C3=CC=CC=C3)C(=O)C4=CC5=C(C=C4)C=CN=C5N)O

Isomeric SMILES

CC(C1=CC(=CC=C1)N(C2=CC=CC=C2)C(=O)CN(C3=CC=CC=C3)C(=O)C4=CC5=C(C=C4)C=CN=C5N)O

InChI

InChI=1S/C32H28N4O3/c1-22(37)24-9-8-14-28(19-24)36(27-12-6-3-7-13-27)30(38)21-35(26-10-4-2-5-11-26)32(39)25-16-15-23-17-18-34-31(33)29(23)20-25/h2-20,22,37H,21H2,1H3,(H2,33,34)