4-[4-[(2S)-2-methyl-4-propan-2-yl-piperazin-1-yl]carbonylpiperidin-1-yl]benzenecarbonitrile

Systemtic Name: 4-[4-[(2S)-2-methyl-4-propan-2-yl-piperazin-1-yl]carbonylpiperidin-1-yl]benzenecarbonitrile Openeye Name: 4-[4-[(2S)-4-isopropyl-2-methyl-piperazine-1-carbonyl]-1-piperidyl]benzonitrile CAS Name: 4-[4-[[(2S)-2-methyl-4-propan-2-yl-1-piperazinyl]-oxomethyl]-1-piperidinyl]benzonitrile IUPAC Name: 4-[4-[(2S)-2-methyl-4-propan-2-ylpiperazine-1-carbonyl]piperidin-1-yl]benzonitrile Traditional Name: 4-[4-[(2S)-4-isopropyl-2-methyl-piperazine-1-carbonyl]piperidino]benzonitrile Formula: C21H30N4O MolecularWeight: 354.4891

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2CCN(CC2)C3=CC=C(C=C3)C#N)C(C)C

Isomeric SMILES

C[C@H]1CN(CCN1C(=O)C2CCN(CC2)C3=CC=C(C=C3)C#N)C(C)C

InChI

InChI=1S/C21H30N4O/c1-16(2)24-12-13-25(17(3)15-24)21(26)19-8-10-23(11-9-19)20-6-4-18(14-22)5-7-20/h4-7,16-17,19H,8-13,15H2,1-3H3/t17-/m0/s1