N-[4-[2-[(4-chlorophenyl)carbonylamino]ethylcarbamoyl]piperidin-4-yl]-5-hex-1-ynyl-pyridine-3-carboxamide

Systemtic Name: N-[4-[2-[(4-chlorophenyl)carbonylamino]ethylcarbamoyl]piperidin-4-yl]-5-hex-1-ynyl-pyridine-3-carboxamide Openeye Name: N-[4-[2-[(4-chlorobenzoyl)amino]ethylcarbamoyl]-4-piperidyl]-5-hex-1-ynyl-pyridine-3-carboxamide CAS Name: N-[4-[[2-[[(4-chlorophenyl)-oxomethyl]amino]ethylamino]-oxomethyl]-4-piperidinyl]-5-hex-1-ynyl-3-pyridinecarboxamide IUPAC Name: N-[4-[2-[(4-chlorobenzoyl)amino]ethylcarbamoyl]piperidin-4-yl]-5-hex-1-ynylpyridine-3-carboxamide Traditional Name: N-[4-[2-[(4-chlorobenzoyl)amino]ethylcarbamoyl]-4-piperidyl]-5-hex-1-ynyl-nicotinamide Formula: C27H32ClN5O3 MolecularWeight: 510.02768

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=CC(=CN=C1)C(=O)NC2(CCNCC2)C(=O)NCCNC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCC#CC1=CC(=CN=C1)C(=O)NC2(CCNCC2)C(=O)NCCNC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C27H32ClN5O3/c1-2-3-4-5-6-20-17-22(19-30-18-20)25(35)33-27(11-13-29-14-12-27)26(36)32-16-15-31-24(34)21-7-9-23(28)10-8-21/h7-10,17-19,29H,2-4,11-16H2,1H3,(H,31,34)(H,32,36)(H,33,35)