azepan-1-yl-(4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridin-2-yl)methanone

Systemtic Name: azepan-1-yl-(4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridin-2-yl)methanone Openeye Name: azepan-1-yl-(4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridin-2-yl)methanone CAS Name: 1-azepanyl-[4,6-dimethyl-3-(1-pyrrolyl)-2-thieno[2,3-b]pyridinyl]methanone IUPAC Name: azepan-1-yl-(4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)methanone Traditional Name: azepan-1-yl-(4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridin-2-yl)methanone Formula: C20H23N3OS MolecularWeight: 353.48112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C(=C(S2)C(=O)N3CCCCCC3)N4C=CC=C4)C

Isomeric SMILES

CC1=CC(=NC2=C1C(=C(S2)C(=O)N3CCCCCC3)N4C=CC=C4)C

InChI

InChI=1S/C20H23N3OS/c1-14-13-15(2)21-19-16(14)17(22-9-7-8-10-22)18(25-19)20(24)23-11-5-3-4-6-12-23/h7-10,13H,3-6,11-12H2,1-2H3