9-[2-(azetidin-1-yl)ethanoylamino]-N-tert-butyl-8-methoxy-N-methyl-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxamide

Systemtic Name: 9-[2-(azetidin-1-yl)ethanoylamino]-N-tert-butyl-8-methoxy-N-methyl-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxamide Openeye Name: 9-[[2-(azetidin-1-yl)acetyl]amino]-N-tert-butyl-8-methoxy-N-methyl-1-(2-thienyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxamide CAS Name: 9-[[2-(1-azetidinyl)-1-oxoethyl]amino]-N-tert-butyl-8-methoxy-N-methyl-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxamide IUPAC Name: 9-[[2-(azetidin-1-yl)acetyl]amino]-N-tert-butyl-8-methoxy-N-methyl-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxamide Traditional Name: 9-[[2-(azetidin-1-yl)acetyl]amino]-N-tert-butyl-8-methoxy-N-methyl-1-(2-thienyl)-5,6-dihydropyrrol[2,1-a]isoquinoline-3-carboxamide Formula: C28H34N4O3S MolecularWeight: 506.65956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(C)C(=O)C1=CC(=C2N1CCC3=CC(=C(C=C32)NC(=O)CN4CCC4)OC)C5=CC=CS5

Isomeric SMILES

CC(C)(C)N(C)C(=O)C1=CC(=C2N1CCC3=CC(=C(C=C32)NC(=O)CN4CCC4)OC)C5=CC=CS5

InChI

InChI=1S/C28H34N4O3S/c1-28(2,3)30(4)27(34)22-16-20(24-8-6-13-36-24)26-19-15-21(29-25(33)17-31-10-7-11-31)23(35-5)14-18(19)9-12-32(22)26/h6,8,13-16H,7,9-12,17H2,1-5H3,(H,29,33)