N-[2-[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide

Systemtic Name: N-[2-[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide Openeye Name: N-[2-[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide CAS Name: N-[2-[(E)-3-(1-methyl-4-pyrazolyl)-1-oxoprop-2-enyl]-3,4-dihydro-1H-isoquinolin-7-yl]-2-pyridinecarboxamide IUPAC Name: N-[2-[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide Traditional Name: N-[2-[(E)-3-(1-methylpyrazol-4-yl)acryloyl]-3,4-dihydro-1H-isoquinolin-7-yl]picolinamide Formula: C22H21N5O2 MolecularWeight: 387.43444

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C=CC(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)C4=CC=CC=N4

Isomeric SMILES

CN1C=C(C=N1)/C=C/C(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)C4=CC=CC=N4

InChI

InChI=1S/C22H21N5O2/c1-26-14-16(13-24-26)5-8-21(28)27-11-9-17-6-7-19(12-18(17)15-27)25-22(29)20-4-2-3-10-23-20/h2-8,10,12-14H,9,11,15H2,1H3,(H,25,29)/b8-5+