cyclobutyl-[4-(8,9-dimethoxy-1-thiophen-2-yl-pyrrolo[2,1-a]isoquinolin-3-yl)carbonyl-1,4-diazepan-1-yl]methanone

Systemtic Name: cyclobutyl-[4-(8,9-dimethoxy-1-thiophen-2-yl-pyrrolo[2,1-a]isoquinolin-3-yl)carbonyl-1,4-diazepan-1-yl]methanone Openeye Name: cyclobutyl-[4-[8,9-dimethoxy-1-(2-thienyl)pyrrolo[2,1-a]isoquinoline-3-carbonyl]-1,4-diazepan-1-yl]methanone CAS Name: cyclobutyl-[4-[(8,9-dimethoxy-1-thiophen-2-yl-3-pyrrolo[2,1-a]isoquinolinyl)-oxomethyl]-1,4-diazepan-1-yl]methanone IUPAC Name: cyclobutyl-[4-(8,9-dimethoxy-1-thiophen-2-ylpyrrolo[2,1-a]isoquinoline-3-carbonyl)-1,4-diazepan-1-yl]methanone Traditional Name: cyclobutyl-[4-[8,9-dimethoxy-1-(2-thienyl)pyrrol[2,1-a]isoquinoline-3-carbonyl]-1,4-diazepan-1-yl]methanone Formula: C29H31N3O4S MolecularWeight: 517.63914

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=CN3C2=C(C=C3C(=O)N4CCCN(CC4)C(=O)C5CCC5)C6=CC=CS6)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=CN3C2=C(C=C3C(=O)N4CCCN(CC4)C(=O)C5CCC5)C6=CC=CS6)OC

InChI

InChI=1S/C29H31N3O4S/c1-35-24-16-20-9-12-32-23(17-22(26-8-4-15-37-26)27(32)21(20)18-25(24)36-2)29(34)31-11-5-10-30(13-14-31)28(33)19-6-3-7-19/h4,8-9,12,15-19H,3,5-7,10-11,13-14H2,1-2H3