2-(5-bromanylpyridin-3-yl)-N-[4-[(4-thiophen-2-ylcarbonyl-1,4-diazepan-1-yl)carbonyl]piperidin-4-yl]ethanamide

Systemtic Name: 2-(5-bromanylpyridin-3-yl)-N-[4-[(4-thiophen-2-ylcarbonyl-1,4-diazepan-1-yl)carbonyl]piperidin-4-yl]ethanamide Openeye Name: 2-(5-bromo-3-pyridyl)-N-[4-[4-(thiophene-2-carbonyl)-1,4-diazepane-1-carbonyl]-4-piperidyl]acetamide CAS Name: 2-(5-bromo-3-pyridinyl)-N-[4-[oxo-[4-[oxo(thiophen-2-yl)methyl]-1,4-diazepan-1-yl]methyl]-4-piperidinyl]acetamide IUPAC Name: 2-(5-bromopyridin-3-yl)-N-[4-[4-(thiophene-2-carbonyl)-1,4-diazepane-1-carbonyl]piperidin-4-yl]acetamide Traditional Name: 2-(5-bromo-3-pyridyl)-N-[4-[4-(2-thenoyl)-1,4-diazepane-1-carbonyl]-4-piperidyl]acetamide Formula: C23H28BrN5O3S MolecularWeight: 534.46912

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2(CCNCC2)NC(=O)CC3=CC(=CN=C3)Br)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2(CCNCC2)NC(=O)CC3=CC(=CN=C3)Br)C(=O)C4=CC=CS4

InChI

InChI=1S/C23H28BrN5O3S/c24-18-13-17(15-26-16-18)14-20(30)27-23(4-6-25-7-5-23)22(32)29-9-2-8-28(10-11-29)21(31)19-3-1-12-33-19/h1,3,12-13,15-16,25H,2,4-11,14H2,(H,27,30)