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

Systemtic Name: azepan-1-yl-[1-(4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridin-2-yl)carbonylpiperidin-4-yl]methanone Openeye Name: azepan-1-yl-[1-(4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carbonyl)-4-piperidyl]methanone CAS Name: 1-azepanyl-[1-[[4,6-dimethyl-3-(1-pyrrolyl)-2-thieno[2,3-b]pyridinyl]-oxomethyl]-4-piperidinyl]methanone IUPAC Name: azepan-1-yl-[1-(4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carbonyl)piperidin-4-yl]methanone Traditional Name: azepan-1-yl-[1-(4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carbonyl)-4-piperidyl]methanone Formula: C26H32N4O2S MolecularWeight: 464.62288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C(=C(S2)C(=O)N3CCC(CC3)C(=O)N4CCCCCC4)N5C=CC=C5)C

Isomeric SMILES

CC1=CC(=NC2=C1C(=C(S2)C(=O)N3CCC(CC3)C(=O)N4CCCCCC4)N5C=CC=C5)C

InChI

InChI=1S/C26H32N4O2S/c1-18-17-19(2)27-24-21(18)22(28-11-7-8-12-28)23(33-24)26(32)30-15-9-20(10-16-30)25(31)29-13-5-3-4-6-14-29/h7-8,11-12,17,20H,3-6,9-10,13-16H2,1-2H3