2,6-bis(chloranyl)-N-[(3R)-3-[4-[2-cyanoethanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methyl-pyridine-3-carboxamide

Systemtic Name: 2,6-bis(chloranyl)-N-[(3R)-3-[4-[2-cyanoethanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methyl-pyridine-3-carboxamide Openeye Name: 2,6-dichloro-N-[(3R)-3-[4-[(2-cyanoacetyl)-(3-thienylmethyl)amino]-1-piperidyl]butyl]-4-methyl-pyridine-3-carboxamide CAS Name: 2,6-dichloro-N-[(3R)-3-[4-[(2-cyano-1-oxoethyl)-(3-thiophenylmethyl)amino]-1-piperidinyl]butyl]-4-methyl-3-pyridinecarboxamide IUPAC Name: 2,6-dichloro-N-[(3R)-3-[4-[(2-cyanoacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide Traditional Name: 2,6-dichloro-N-[(3R)-3-[4-[(2-cyanoacetyl)-(3-thenyl)amino]piperidino]butyl]-4-methyl-nicotinamide Formula: C24H29Cl2N5O2S MolecularWeight: 522.49036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C(=O)NCCC(C)N2CCC(CC2)N(CC3=CSC=C3)C(=O)CC#N)Cl)Cl

Isomeric SMILES

CC1=CC(=NC(=C1C(=O)NCC[C@@H](C)N2CCC(CC2)N(CC3=CSC=C3)C(=O)CC#N)Cl)Cl

InChI

InChI=1S/C24H29Cl2N5O2S/c1-16-13-20(25)29-23(26)22(16)24(33)28-9-4-17(2)30-10-5-19(6-11-30)31(21(32)3-8-27)14-18-7-12-34-15-18/h7,12-13,15,17,19H,3-6,9-11,14H2,1-2H3,(H,28,33)/t17-/m1/s1