N-(3-aminocarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(2-propan-2-yloxyphenyl)quinoline-4-carboxamide

Systemtic Name: N-(3-aminocarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(2-propan-2-yloxyphenyl)quinoline-4-carboxamide Openeye Name: N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(2-isopropoxyphenyl)quinoline-4-carboxamide CAS Name: N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(2-propan-2-yloxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(2-propan-2-yloxyphenyl)quinoline-4-carboxamide Traditional Name: N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(2-isopropoxyphenyl)cinchoninamide Formula: C29H29N3O3S MolecularWeight: 499.62386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC=C1C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CCCCC5)C(=O)N

Isomeric SMILES

CC(C)OC1=CC=CC=C1C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CCCCC5)C(=O)N

InChI

InChI=1S/C29H29N3O3S/c1-17(2)35-24-14-9-7-11-19(24)23-16-21(18-10-6-8-13-22(18)31-23)28(34)32-29-26(27(30)33)20-12-4-3-5-15-25(20)36-29/h6-11,13-14,16-17H,3-5,12,15H2,1-2H3,(H2,30,33)(H,32,34)