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

Systemtic Name: 5-bromanyl-N-[4-[(4-thiophen-2-ylcarbonyl-1,4-diazepan-1-yl)carbonyl]piperidin-4-yl]pyridine-3-carboxamide Openeye Name: 5-bromo-N-[4-[4-(thiophene-2-carbonyl)-1,4-diazepane-1-carbonyl]-4-piperidyl]pyridine-3-carboxamide CAS Name: 5-bromo-N-[4-[oxo-[4-[oxo(thiophen-2-yl)methyl]-1,4-diazepan-1-yl]methyl]-4-piperidinyl]-3-pyridinecarboxamide IUPAC Name: 5-bromo-N-[4-[4-(thiophene-2-carbonyl)-1,4-diazepane-1-carbonyl]piperidin-4-yl]pyridine-3-carboxamide Traditional Name: 5-bromo-N-[4-[4-(2-thenoyl)-1,4-diazepane-1-carbonyl]-4-piperidyl]nicotinamide Formula: C22H26BrN5O3S MolecularWeight: 520.44254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26BrN5O3S/c23-17-13-16(14-25-15-17)19(29)26-22(4-6-24-7-5-22)21(31)28-9-2-8-27(10-11-28)20(30)18-3-1-12-32-18/h1,3,12-15,24H,2,4-11H2,(H,26,29)