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

Systemtic Name: 5-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethyl-piperazin-1-yl]-6-methyl-pyridine-2-carboxamide Openeye Name: 5-[(3S)-4-[1-[(4-chlorophenyl)methyl]-4-piperidyl]-3-ethyl-piperazin-1-yl]-6-methyl-pyridine-2-carboxamide CAS Name: 5-[(3S)-4-[1-[(4-chlorophenyl)methyl]-4-piperidinyl]-3-ethyl-1-piperazinyl]-6-methyl-2-pyridinecarboxamide IUPAC Name: 5-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-6-methylpyridine-2-carboxamide Traditional Name: 5-[(3S)-4-[1-(4-chlorobenzyl)-4-piperidyl]-3-ethyl-piperazino]-6-methyl-picolinamide Formula: C25H34ClN5O MolecularWeight: 456.02336

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CCN1C2CCN(CC2)CC3=CC=C(C=C3)Cl)C4=C(N=C(C=C4)C(=O)N)C

Isomeric SMILES

CC[C@H]1CN(CCN1C2CCN(CC2)CC3=CC=C(C=C3)Cl)C4=C(N=C(C=C4)C(=O)N)C

InChI

InChI=1S/C25H34ClN5O/c1-3-21-17-30(24-9-8-23(25(27)32)28-18(24)2)14-15-31(21)22-10-12-29(13-11-22)16-19-4-6-20(26)7-5-19/h4-9,21-22H,3,10-17H2,1-2H3,(H2,27,32)/t21-/m0/s1