2-[(2,4-dimethylphenyl)methyl]-3-[3-methyl-4-(oxan-2-yloxy)phenyl]isoquinolin-1-one

Systemtic Name: 2-[(2,4-dimethylphenyl)methyl]-3-[3-methyl-4-(oxan-2-yloxy)phenyl]isoquinolin-1-one Openeye Name: 2-[(2,4-dimethylphenyl)methyl]-3-(3-methyl-4-tetrahydropyran-2-yloxy-phenyl)isoquinolin-1-one CAS Name: 2-[(2,4-dimethylphenyl)methyl]-3-[3-methyl-4-(2-oxanyloxy)phenyl]-1-isoquinolinone IUPAC Name: 2-[(2,4-dimethylphenyl)methyl]-3-[3-methyl-4-(oxan-2-yloxy)phenyl]isoquinolin-1-one Traditional Name: 2-(2,4-dimethylbenzyl)-3-(3-methyl-4-tetrahydropyran-2-yloxy-phenyl)isocarbostyril Formula: C30H31NO3 MolecularWeight: 453.57204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CN2C(=CC3=CC=CC=C3C2=O)C4=CC(=C(C=C4)OC5CCCCO5)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)CN2C(=CC3=CC=CC=C3C2=O)C4=CC(=C(C=C4)OC5CCCCO5)C)C

InChI

InChI=1S/C30H31NO3/c1-20-11-12-25(21(2)16-20)19-31-27(18-23-8-4-5-9-26(23)30(31)32)24-13-14-28(22(3)17-24)34-29-10-6-7-15-33-29/h4-5,8-9,11-14,16-18,29H,6-7,10,15,19H2,1-3H3