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

Systemtic Name: 4-(4-ethylpiperazin-1-yl)carbonyl-2-methyl-3-thiophen-2-yl-3,4-dihydroisoquinolin-1-one Openeye Name: 4-(4-ethylpiperazine-1-carbonyl)-2-methyl-3-(2-thienyl)-3,4-dihydroisoquinolin-1-one CAS Name: 4-[(4-ethyl-1-piperazinyl)-oxomethyl]-2-methyl-3-thiophen-2-yl-3,4-dihydroisoquinolin-1-one IUPAC Name: 4-(4-ethylpiperazine-1-carbonyl)-2-methyl-3-thiophen-2-yl-3,4-dihydroisoquinolin-1-one Traditional Name: 4-(4-ethylpiperazine-1-carbonyl)-2-methyl-3-(2-thienyl)-3,4-dihydroisocarbostyril Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O2S/c1-3-23-10-12-24(13-11-23)21(26)18-15-7-4-5-8-16(15)20(25)22(2)19(18)17-9-6-14-27-17/h4-9,14,18-19H,3,10-13H2,1-2H3