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

Systemtic Name: ethyl 3-[(2-cyclobutylcarbonyl-1,4-diazepan-1-yl)carbonyl]-8-methoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-9-carboxylate Openeye Name: ethyl 3-[2-(cyclobutanecarbonyl)-1,4-diazepane-1-carbonyl]-8-methoxy-1-(2-thienyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline-9-carboxylate CAS Name: 3-[[2-[cyclobutyl(oxo)methyl]-1,4-diazepan-1-yl]-oxomethyl]-8-methoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-9-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[2-(cyclobutanecarbonyl)-1,4-diazepane-1-carbonyl]-8-methoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-9-carboxylate Traditional Name: 3-[2-(cyclobutanecarbonyl)-1,4-diazepane-1-carbonyl]-8-methoxy-1-(2-thienyl)-5,6-dihydropyrrol[2,1-a]isoquinoline-9-carboxylic acid ethyl ester Formula: C31H35N3O5S MolecularWeight: 561.6917

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C2CCN3C(=CC(=C3C2=C1)C4=CC=CS4)C(=O)N5CCCNCC5C(=O)C6CCC6)OC

Isomeric SMILES

CCOC(=O)C1=C(C=C2CCN3C(=CC(=C3C2=C1)C4=CC=CS4)C(=O)N5CCCNCC5C(=O)C6CCC6)OC

InChI

InChI=1S/C31H35N3O5S/c1-3-39-31(37)22-16-21-20(15-26(22)38-2)10-13-33-24(17-23(28(21)33)27-9-5-14-40-27)30(36)34-12-6-11-32-18-25(34)29(35)19-7-4-8-19/h5,9,14-17,19,25,32H,3-4,6-8,10-13,18H2,1-2H3