(3S)-2-[(E)-3-(2,4-dimethylphenyl)prop-2-enoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-[(E)-3-(2,4-dimethylphenyl)prop-2-enoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-[(E)-3-(2,4-dimethylphenyl)prop-2-enoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[(E)-3-(2,4-dimethylphenyl)-1-oxoprop-2-enyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-[(E)-3-(2,4-dimethylphenyl)prop-2-enoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-[(E)-3-(2,4-dimethylphenyl)acryloyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C21H22N2O2 MolecularWeight: 334.41158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C=CC(=O)N2CC3=CC=CC=C3CC2C(=O)N)C

Isomeric SMILES

CC1=CC(=C(C=C1)/C=C/C(=O)N2CC3=CC=CC=C3C[C@H]2C(=O)N)C

InChI

InChI=1S/C21H22N2O2/c1-14-7-8-16(15(2)11-14)9-10-20(24)23-13-18-6-4-3-5-17(18)12-19(23)21(22)25/h3-11,19H,12-13H2,1-2H3,(H2,22,25)/b10-9+/t19-/m0/s1