ethyl 4-[(3S)-1-[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]piperidin-3-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-1-[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]piperidin-3-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(3S)-1-[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]-3-piperidyl]piperazine-1-carboxylate CAS Name: 4-[(3S)-1-[(E)-3-(1-methyl-4-pyrazolyl)-1-oxoprop-2-enyl]-3-piperidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-1-[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]piperidin-3-yl]piperazine-1-carboxylate Traditional Name: 4-[(3S)-1-[(E)-3-(1-methylpyrazol-4-yl)acryloyl]-3-piperidyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H29N5O3 MolecularWeight: 375.46526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2CCCN(C2)C(=O)C=CC3=CN(N=C3)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)[C@H]2CCCN(C2)C(=O)/C=C/C3=CN(N=C3)C

InChI

InChI=1S/C19H29N5O3/c1-3-27-19(26)23-11-9-22(10-12-23)17-5-4-8-24(15-17)18(25)7-6-16-13-20-21(2)14-16/h6-7,13-14,17H,3-5,8-12,15H2,1-2H3/b7-6+/t17-/m0/s1