1-[3-[(3,4-dimethylphenyl)amino]piperidin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-one

Systemtic Name: 1-[3-[(3,4-dimethylphenyl)amino]piperidin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-one Openeye Name: 1-[3-(3,4-dimethylanilino)-1-piperidyl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-one CAS Name: 1-[3-(3,4-dimethylanilino)-1-piperidinyl]-3-(3,5-dimethyl-1-pyrazolyl)-1-propanone IUPAC Name: 1-[3-(3,4-dimethylanilino)piperidin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-one Traditional Name: 1-[3-(3,4-dimethylanilino)piperidino]-3-(3,5-dimethylpyrazol-1-yl)propan-1-one Formula: C21H30N4O MolecularWeight: 354.4891

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2CCCN(C2)C(=O)CCN3C(=CC(=N3)C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC2CCCN(C2)C(=O)CCN3C(=CC(=N3)C)C)C

InChI

InChI=1S/C21H30N4O/c1-15-7-8-19(12-16(15)2)22-20-6-5-10-24(14-20)21(26)9-11-25-18(4)13-17(3)23-25/h7-8,12-13,20,22H,5-6,9-11,14H2,1-4H3