N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-(1-prop-2-enoylpyrrolidin-2-yl)benzamide

Systemtic Name: N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-(1-prop-2-enoylpyrrolidin-2-yl)benzamide Openeye Name: N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]-4-(1-prop-2-enoylpyrrolidin-2-yl)benzamide CAS Name: N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-4-[1-(1-oxoprop-2-enyl)-2-pyrrolidinyl]benzamide IUPAC Name: N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-(1-prop-2-enoylpyrrolidin-2-yl)benzamide Traditional Name: 4-(1-acryloylpyrrolidin-2-yl)-N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]benzamide Formula: C30H28N6O2 MolecularWeight: 504.58232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)C3CCCN3C(=O)C=C)NC4=NC=CC(=N4)C5=CN=CC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)C3CCCN3C(=O)C=C)NC4=NC=CC(=N4)C5=CN=CC=C5

InChI

InChI=1S/C30H28N6O2/c1-3-28(37)36-17-5-7-27(36)21-9-11-22(12-10-21)29(38)33-24-13-8-20(2)26(18-24)35-30-32-16-14-25(34-30)23-6-4-15-31-19-23/h3-4,6,8-16,18-19,27H,1,5,7,17H2,2H3,(H,33,38)(H,32,34,35)