(E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)prop-2-en-1-one Openeye Name: (E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)prop-2-en-1-one CAS Name: (E)-3-(1-butyl-5-chloro-3-methyl-4-pyrazolyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-propen-1-one IUPAC Name: (E)-3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)prop-2-en-1-one Traditional Name: (E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)prop-2-en-1-one Formula: C20H24ClN3O MolecularWeight: 357.87706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C=CC(=O)N2CCC3=CC=CC=C3C2)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)/C=C/C(=O)N2CCC3=CC=CC=C3C2)Cl

InChI

InChI=1S/C20H24ClN3O/c1-3-4-12-24-20(21)18(15(2)22-24)9-10-19(25)23-13-11-16-7-5-6-8-17(16)14-23/h5-10H,3-4,11-14H2,1-2H3/b10-9+