N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-2-prop-2-enoyl-3,4-dihydro-1H-isoquinoline-6-carboxamide

Systemtic Name: N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-2-prop-2-enoyl-3,4-dihydro-1H-isoquinoline-6-carboxamide Openeye Name: N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]-2-prop-2-enoyl-3,4-dihydro-1H-isoquinoline-6-carboxamide CAS Name: N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-2-(1-oxoprop-2-enyl)-3,4-dihydro-1H-isoquinoline-6-carboxamide IUPAC Name: N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-2-prop-2-enoyl-3,4-dihydro-1H-isoquinoline-6-carboxamide Traditional Name: 2-acryloyl-N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]-3,4-dihydro-1H-isoquinoline-6-carboxamide Formula: C29H26N6O2 MolecularWeight: 490.55574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(CN(CC3)C(=O)C=C)C=C2)NC4=NC=CC(=N4)C5=CN=CC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(CN(CC3)C(=O)C=C)C=C2)NC4=NC=CC(=N4)C5=CN=CC=C5

InChI

InChI=1S/C29H26N6O2/c1-3-27(36)35-14-11-20-15-21(7-8-23(20)18-35)28(37)32-24-9-6-19(2)26(16-24)34-29-31-13-10-25(33-29)22-5-4-12-30-17-22/h3-10,12-13,15-17H,1,11,14,18H2,2H3,(H,32,37)(H,31,33,34)