3-(4-methoxyphenyl)-2-methyl-4-(4-phenylpiperazin-1-yl)carbonyl-3,4-dihydroisoquinolin-1-one

Systemtic Name: 3-(4-methoxyphenyl)-2-methyl-4-(4-phenylpiperazin-1-yl)carbonyl-3,4-dihydroisoquinolin-1-one Openeye Name: 3-(4-methoxyphenyl)-2-methyl-4-(4-phenylpiperazine-1-carbonyl)-3,4-dihydroisoquinolin-1-one CAS Name: 3-(4-methoxyphenyl)-2-methyl-4-[oxo-(4-phenyl-1-piperazinyl)methyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 3-(4-methoxyphenyl)-2-methyl-4-(4-phenylpiperazine-1-carbonyl)-3,4-dihydroisoquinolin-1-one Traditional Name: 3-(4-methoxyphenyl)-2-methyl-4-(4-phenylpiperazine-1-carbonyl)-3,4-dihydroisocarbostyril Formula: C28H29N3O3 MolecularWeight: 455.54816

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CCN(CC3)C4=CC=CC=C4)C5=CC=C(C=C5)OC

Isomeric SMILES

CN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CCN(CC3)C4=CC=CC=C4)C5=CC=C(C=C5)OC

InChI

InChI=1S/C28H29N3O3/c1-29-26(20-12-14-22(34-2)15-13-20)25(23-10-6-7-11-24(23)27(29)32)28(33)31-18-16-30(17-19-31)21-8-4-3-5-9-21/h3-15,25-26H,16-19H2,1-2H3