2-[4-(1-methoxy-2-methyl-propan-2-yl)phenyl]-7-(quinolin-6-ylmethylamino)-3H-isoindol-1-one

Systemtic Name: 2-[4-(1-methoxy-2-methyl-propan-2-yl)phenyl]-7-(quinolin-6-ylmethylamino)-3H-isoindol-1-one Openeye Name: 2-[4-(2-methoxy-1,1-dimethyl-ethyl)phenyl]-7-(6-quinolylmethylamino)isoindolin-1-one CAS Name: 2-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-7-(6-quinolinylmethylamino)-3H-isoindol-1-one IUPAC Name: 2-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-7-(quinolin-6-ylmethylamino)-3H-isoindol-1-one Traditional Name: 2-[4-(2-methoxy-1,1-dimethyl-ethyl)phenyl]-7-(6-quinolylmethylamino)isoindolin-1-one Formula: C29H29N3O2 MolecularWeight: 451.55946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(COC)C1=CC=C(C=C1)N2CC3=C(C2=O)C(=CC=C3)NCC4=CC5=C(C=C4)N=CC=C5

Isomeric SMILES

CC(C)(COC)C1=CC=C(C=C1)N2CC3=C(C2=O)C(=CC=C3)NCC4=CC5=C(C=C4)N=CC=C5

InChI

InChI=1S/C29H29N3O2/c1-29(2,19-34-3)23-10-12-24(13-11-23)32-18-22-6-4-8-26(27(22)28(32)33)31-17-20-9-14-25-21(16-20)7-5-15-30-25/h4-16,31H,17-19H2,1-3H3