5-[(3S)-4-[1-(4-chlorophenyl)carbonylpiperidin-4-yl]-3-ethyl-piperazin-1-yl]-N-ethyl-6-methyl-pyridine-2-carboxamide

Systemtic Name: 5-[(3S)-4-[1-(4-chlorophenyl)carbonylpiperidin-4-yl]-3-ethyl-piperazin-1-yl]-N-ethyl-6-methyl-pyridine-2-carboxamide Openeye Name: 5-[(3S)-4-[1-(4-chlorobenzoyl)-4-piperidyl]-3-ethyl-piperazin-1-yl]-N-ethyl-6-methyl-pyridine-2-carboxamide CAS Name: 5-[(3S)-4-[1-[(4-chlorophenyl)-oxomethyl]-4-piperidinyl]-3-ethyl-1-piperazinyl]-N-ethyl-6-methyl-2-pyridinecarboxamide IUPAC Name: 5-[(3S)-4-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-ethyl-6-methylpyridine-2-carboxamide Traditional Name: 5-[(3S)-4-[1-(4-chlorobenzoyl)-4-piperidyl]-3-ethyl-piperazino]-N-ethyl-6-methyl-picolinamide Formula: C27H36ClN5O2 MolecularWeight: 498.06004

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CCN1C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl)C4=C(N=C(C=C4)C(=O)NCC)C

Isomeric SMILES

CC[C@H]1CN(CCN1C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl)C4=C(N=C(C=C4)C(=O)NCC)C

InChI

InChI=1S/C27H36ClN5O2/c1-4-22-18-32(25-11-10-24(30-19(25)3)26(34)29-5-2)16-17-33(22)23-12-14-31(15-13-23)27(35)20-6-8-21(28)9-7-20/h6-11,22-23H,4-5,12-18H2,1-3H3,(H,29,34)/t22-/m0/s1