2-(1,3-benzodioxol-5-yloxy)-N-[4-[(4-thiophen-2-ylcarbonyl-1,4-diazepan-1-yl)carbonyl]piperidin-4-yl]pyridine-3-carboxamide

Systemtic Name: 2-(1,3-benzodioxol-5-yloxy)-N-[4-[(4-thiophen-2-ylcarbonyl-1,4-diazepan-1-yl)carbonyl]piperidin-4-yl]pyridine-3-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yloxy)-N-[4-[4-(thiophene-2-carbonyl)-1,4-diazepane-1-carbonyl]-4-piperidyl]pyridine-3-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yloxy)-N-[4-[oxo-[4-[oxo(thiophen-2-yl)methyl]-1,4-diazepan-1-yl]methyl]-4-piperidinyl]-3-pyridinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yloxy)-N-[4-[4-(thiophene-2-carbonyl)-1,4-diazepane-1-carbonyl]piperidin-4-yl]pyridine-3-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yloxy)-N-[4-[4-(2-thenoyl)-1,4-diazepane-1-carbonyl]-4-piperidyl]nicotinamide Formula: C29H31N5O6S MolecularWeight: 577.65134

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2(CCNCC2)NC(=O)C3=C(N=CC=C3)OC4=CC5=C(C=C4)OCO5)C(=O)C6=CC=CS6

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2(CCNCC2)NC(=O)C3=C(N=CC=C3)OC4=CC5=C(C=C4)OCO5)C(=O)C6=CC=CS6

InChI

InChI=1S/C29H31N5O6S/c35-25(21-4-1-10-31-26(21)40-20-6-7-22-23(18-20)39-19-38-22)32-29(8-11-30-12-9-29)28(37)34-14-3-13-33(15-16-34)27(36)24-5-2-17-41-24/h1-2,4-7,10,17-18,30H,3,8-9,11-16,19H2,(H,32,35)