2-methyl-1-oxidanylidene-N-(3-piperidin-1-ylpropyl)-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide

Systemtic Name: 2-methyl-1-oxidanylidene-N-(3-piperidin-1-ylpropyl)-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: 2-methyl-1-oxo-N-[3-(1-piperidyl)propyl]-3-(2-thienyl)-3,4-dihydroisoquinoline-4-carboxamide CAS Name: 2-methyl-1-oxo-N-[3-(1-piperidinyl)propyl]-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: 2-methyl-1-oxo-N-(3-piperidin-1-ylpropyl)-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: 1-keto-2-methyl-N-(3-piperidinopropyl)-3-(2-thienyl)-3,4-dihydroisoquinoline-4-carboxamide Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(C2=CC=CC=C2C1=O)C(=O)NCCCN3CCCCC3)C4=CC=CS4

Isomeric SMILES

CN1C(C(C2=CC=CC=C2C1=O)C(=O)NCCCN3CCCCC3)C4=CC=CS4

InChI

InChI=1S/C23H29N3O2S/c1-25-21(19-11-7-16-29-19)20(17-9-3-4-10-18(17)23(25)28)22(27)24-12-8-15-26-13-5-2-6-14-26/h3-4,7,9-11,16,20-21H,2,5-6,8,12-15H2,1H3,(H,24,27)