(E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)-N-[1-(phenylmethyl)piperidin-4-yl]prop-2-enamide

Systemtic Name: (E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)-N-[1-(phenylmethyl)piperidin-4-yl]prop-2-enamide Openeye Name: (E)-N-(1-benzyl-4-piperidyl)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)prop-2-enamide CAS Name: (E)-3-(1-butyl-5-chloro-3-methyl-4-pyrazolyl)-N-[1-(phenylmethyl)-4-piperidinyl]-2-propenamide IUPAC Name: (E)-N-(1-benzylpiperidin-4-yl)-3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-N-(1-benzyl-4-piperidyl)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)acrylamide Formula: C23H31ClN4O MolecularWeight: 414.97144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C=CC(=O)NC2CCN(CC2)CC3=CC=CC=C3)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)/C=C/C(=O)NC2CCN(CC2)CC3=CC=CC=C3)Cl

InChI

InChI=1S/C23H31ClN4O/c1-3-4-14-28-23(24)21(18(2)26-28)10-11-22(29)25-20-12-15-27(16-13-20)17-19-8-6-5-7-9-19/h5-11,20H,3-4,12-17H2,1-2H3,(H,25,29)/b11-10+