4-(1-azanylpropyl)-2-methyl-5-[oxidanyl(phenyl)methyl]-3-phenyl-isoquinolin-1-one

Systemtic Name: 4-(1-azanylpropyl)-2-methyl-5-[oxidanyl(phenyl)methyl]-3-phenyl-isoquinolin-1-one Openeye Name: 4-(1-aminopropyl)-5-[hydroxy(phenyl)methyl]-2-methyl-3-phenyl-isoquinolin-1-one CAS Name: 4-(1-aminopropyl)-5-[hydroxy(phenyl)methyl]-2-methyl-3-phenyl-1-isoquinolinone IUPAC Name: 4-(1-aminopropyl)-5-[hydroxy(phenyl)methyl]-2-methyl-3-phenylisoquinolin-1-one Traditional Name: 4-(1-aminopropyl)-5-[hydroxy(phenyl)methyl]-2-methyl-3-phenyl-isocarbostyril Formula: C26H26N2O2 MolecularWeight: 398.49684

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(N(C(=O)C2=C1C(=CC=C2)C(C3=CC=CC=C3)O)C)C4=CC=CC=C4)N

Isomeric SMILES

CCC(C1=C(N(C(=O)C2=C1C(=CC=C2)C(C3=CC=CC=C3)O)C)C4=CC=CC=C4)N

InChI

InChI=1S/C26H26N2O2/c1-3-21(27)23-22-19(25(29)18-13-8-5-9-14-18)15-10-16-20(22)26(30)28(2)24(23)17-11-6-4-7-12-17/h4-16,21,25,29H,3,27H2,1-2H3