3-(chloromethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)-6-phenylmethoxy-isoquinolin-1-one

Systemtic Name: 3-(chloromethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)-6-phenylmethoxy-isoquinolin-1-one Openeye Name: 6-benzyloxy-3-(chloromethyl)-2-isobutyl-4-(p-tolyl)isoquinolin-1-one CAS Name: 3-(chloromethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)-6-phenylmethoxy-1-isoquinolinone IUPAC Name: 3-(chloromethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)-6-phenylmethoxyisoquinolin-1-one Traditional Name: 6-benzoxy-3-(chloromethyl)-2-isobutyl-4-(p-tolyl)isocarbostyril Formula: C28H28ClNO2 MolecularWeight: 445.98042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=C(C=C3)OCC4=CC=CC=C4)CC(C)C)CCl

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=C(C=C3)OCC4=CC=CC=C4)CC(C)C)CCl

InChI

InChI=1S/C28H28ClNO2/c1-19(2)17-30-26(16-29)27(22-11-9-20(3)10-12-22)25-15-23(13-14-24(25)28(30)31)32-18-21-7-5-4-6-8-21/h4-15,19H,16-18H2,1-3H3