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

Systemtic Name: N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide Openeye Name: N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide CAS Name: N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-1-(1-oxoprop-2-enyl)-3,4-dihydro-2H-quinoline-6-carboxamide IUPAC Name: N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide Traditional Name: 1-acryloyl-N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]-3,4-dihydro-2H-quinoline-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(C=C2)N(CCC3)C(=O)C=C)NC4=NC=CC(=N4)C5=CN=CC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)N(CCC3)C(=O)C=C)NC4=NC=CC(=N4)C5=CN=CC=C5

InChI

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