4-(4-ethylpiperazin-1-yl)carbonyl-6,7-dimethoxy-2-methyl-3-thiophen-2-yl-3,4-dihydroisoquinolin-1-one

Systemtic Name: 4-(4-ethylpiperazin-1-yl)carbonyl-6,7-dimethoxy-2-methyl-3-thiophen-2-yl-3,4-dihydroisoquinolin-1-one Openeye Name: 4-(4-ethylpiperazine-1-carbonyl)-6,7-dimethoxy-2-methyl-3-(2-thienyl)-3,4-dihydroisoquinolin-1-one CAS Name: 4-[(4-ethyl-1-piperazinyl)-oxomethyl]-6,7-dimethoxy-2-methyl-3-thiophen-2-yl-3,4-dihydroisoquinolin-1-one IUPAC Name: 4-(4-ethylpiperazine-1-carbonyl)-6,7-dimethoxy-2-methyl-3-thiophen-2-yl-3,4-dihydroisoquinolin-1-one Traditional Name: 4-(4-ethylpiperazine-1-carbonyl)-6,7-dimethoxy-2-methyl-3-(2-thienyl)-3,4-dihydroisocarbostyril Formula: C23H29N3O4S MolecularWeight: 443.55906

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C2C(N(C(=O)C3=CC(=C(C=C23)OC)OC)C)C4=CC=CS4

Isomeric SMILES

CCN1CCN(CC1)C(=O)C2C(N(C(=O)C3=CC(=C(C=C23)OC)OC)C)C4=CC=CS4

InChI

InChI=1S/C23H29N3O4S/c1-5-25-8-10-26(11-9-25)23(28)20-15-13-17(29-3)18(30-4)14-16(15)22(27)24(2)21(20)19-7-6-12-31-19/h6-7,12-14,20-21H,5,8-11H2,1-4H3