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

Systemtic Name: 5-[(3S)-4-[1-(4-chlorophenyl)carbonylpiperidin-4-yl]-3-ethyl-piperazin-1-yl]-4-methyl-pyridine-2-carbonitrile Openeye Name: 5-[(3S)-4-[1-(4-chlorobenzoyl)-4-piperidyl]-3-ethyl-piperazin-1-yl]-4-methyl-pyridine-2-carbonitrile CAS Name: 5-[(3S)-4-[1-[(4-chlorophenyl)-oxomethyl]-4-piperidinyl]-3-ethyl-1-piperazinyl]-4-methyl-2-pyridinecarbonitrile IUPAC Name: 5-[(3S)-4-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-ethylpiperazin-1-yl]-4-methylpyridine-2-carbonitrile Traditional Name: 5-[(3S)-4-[1-(4-chlorobenzoyl)-4-piperidyl]-3-ethyl-piperazino]-4-methyl-picolinonitrile Formula: C25H30ClN5O MolecularWeight: 451.9916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30ClN5O/c1-3-22-17-30(24-16-28-21(15-27)14-18(24)2)12-13-31(22)23-8-10-29(11-9-23)25(32)19-4-6-20(26)7-5-19/h4-7,14,16,22-23H,3,8-13,17H2,1-2H3/t22-/m0/s1