methyl 6-[[4-[(4-thiophen-2-ylcarbonyl-1,4-diazepan-1-yl)carbonyl]piperidin-4-yl]carbamoyl]pyridine-3-carboxylate

Systemtic Name: methyl 6-[[4-[(4-thiophen-2-ylcarbonyl-1,4-diazepan-1-yl)carbonyl]piperidin-4-yl]carbamoyl]pyridine-3-carboxylate Openeye Name: methyl 6-[[4-[4-(thiophene-2-carbonyl)-1,4-diazepane-1-carbonyl]-4-piperidyl]carbamoyl]pyridine-3-carboxylate CAS Name: 6-[oxo-[[4-[oxo-[4-[oxo(thiophen-2-yl)methyl]-1,4-diazepan-1-yl]methyl]-4-piperidinyl]amino]methyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[[4-[4-(thiophene-2-carbonyl)-1,4-diazepane-1-carbonyl]piperidin-4-yl]carbamoyl]pyridine-3-carboxylate Traditional Name: 6-[[4-[4-(2-thenoyl)-1,4-diazepane-1-carbonyl]-4-piperidyl]carbamoyl]nicotinic acid methyl ester Formula: C24H29N5O5S MolecularWeight: 499.58256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(C=C1)C(=O)NC2(CCNCC2)C(=O)N3CCCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

COC(=O)C1=CN=C(C=C1)C(=O)NC2(CCNCC2)C(=O)N3CCCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C24H29N5O5S/c1-34-22(32)17-5-6-18(26-16-17)20(30)27-24(7-9-25-10-8-24)23(33)29-12-3-11-28(13-14-29)21(31)19-4-2-15-35-19/h2,4-6,15-16,25H,3,7-14H2,1H3,(H,27,30)