3-[(4-cyclobutylcarbonyl-1,4-diazepan-1-yl)carbonyl]-8-methoxy-9-propan-2-yloxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carbonitrile

Systemtic Name: 3-[(4-cyclobutylcarbonyl-1,4-diazepan-1-yl)carbonyl]-8-methoxy-9-propan-2-yloxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carbonitrile Openeye Name: 3-[4-(cyclobutanecarbonyl)-1,4-diazepane-1-carbonyl]-9-isopropoxy-8-methoxy-1-(2-thienyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carbonitrile CAS Name: 3-[[4-[cyclobutyl(oxo)methyl]-1,4-diazepan-1-yl]-oxomethyl]-8-methoxy-9-propan-2-yloxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carbonitrile IUPAC Name: 3-[4-(cyclobutanecarbonyl)-1,4-diazepane-1-carbonyl]-8-methoxy-9-propan-2-yloxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carbonitrile Traditional Name: 3-[4-(cyclobutanecarbonyl)-1,4-diazepane-1-carbonyl]-9-isopropoxy-8-methoxy-1-(2-thienyl)-5,6-dihydropyrrol[2,1-a]isoquinoline-2-carbonitrile Formula: C32H36N4O4S MolecularWeight: 572.71764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C2CCN3C(=C(C(=C3C(=O)N4CCCN(CC4)C(=O)C5CCC5)C#N)C6=CC=CS6)C2=C1)OC

Isomeric SMILES

CC(C)OC1=C(C=C2CCN3C(=C(C(=C3C(=O)N4CCCN(CC4)C(=O)C5CCC5)C#N)C6=CC=CS6)C2=C1)OC

InChI

InChI=1S/C32H36N4O4S/c1-20(2)40-26-18-23-22(17-25(26)39-3)10-13-36-29(23)28(27-9-5-16-41-27)24(19-33)30(36)32(38)35-12-6-11-34(14-15-35)31(37)21-7-4-8-21/h5,9,16-18,20-21H,4,6-8,10-15H2,1-3H3