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

Systemtic Name: N-[2-[(E)-3-pyridin-3-ylprop-2-enoyl]-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide Openeye Name: N-[2-[(E)-3-(3-pyridyl)prop-2-enoyl]-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide CAS Name: N-[2-[(E)-1-oxo-3-(3-pyridinyl)prop-2-enyl]-3,4-dihydro-1H-isoquinolin-7-yl]-4-pyridinecarboxamide IUPAC Name: N-[2-[(E)-3-pyridin-3-ylprop-2-enoyl]-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide Traditional Name: N-[2-[(E)-3-(3-pyridyl)acryloyl]-3,4-dihydro-1H-isoquinolin-7-yl]isonicotinamide Formula: C23H20N4O2 MolecularWeight: 384.4305

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=CC=NC=C3)C(=O)C=CC4=CN=CC=C4

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=CC=NC=C3)C(=O)/C=C/C4=CN=CC=C4

InChI

InChI=1S/C23H20N4O2/c28-22(6-3-17-2-1-10-25-15-17)27-13-9-18-4-5-21(14-20(18)16-27)26-23(29)19-7-11-24-12-8-19/h1-8,10-12,14-15H,9,13,16H2,(H,26,29)/b6-3+