2-methyl-4-[4-(phenylmethyl)piperidin-1-yl]carbonyl-3-thiophen-2-yl-3,4-dihydroisoquinolin-1-one

Systemtic Name: 2-methyl-4-[4-(phenylmethyl)piperidin-1-yl]carbonyl-3-thiophen-2-yl-3,4-dihydroisoquinolin-1-one Openeye Name: 4-(4-benzylpiperidine-1-carbonyl)-2-methyl-3-(2-thienyl)-3,4-dihydroisoquinolin-1-one CAS Name: 2-methyl-4-[oxo-[4-(phenylmethyl)-1-piperidinyl]methyl]-3-thiophen-2-yl-3,4-dihydroisoquinolin-1-one IUPAC Name: 4-(4-benzylpiperidine-1-carbonyl)-2-methyl-3-thiophen-2-yl-3,4-dihydroisoquinolin-1-one Traditional Name: 4-(4-benzylpiperidine-1-carbonyl)-2-methyl-3-(2-thienyl)-3,4-dihydroisocarbostyril Formula: C27H28N2O2S MolecularWeight: 444.58842

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CCC(CC3)CC4=CC=CC=C4)C5=CC=CS5

Isomeric SMILES

CN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CCC(CC3)CC4=CC=CC=C4)C5=CC=CS5

InChI

InChI=1S/C27H28N2O2S/c1-28-25(23-12-7-17-32-23)24(21-10-5-6-11-22(21)26(28)30)27(31)29-15-13-20(14-16-29)18-19-8-3-2-4-9-19/h2-12,17,20,24-25H,13-16,18H2,1H3