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

Systemtic Name: N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-[methyl(pyrrolidin-3-yl)amino]benzamide Openeye Name: N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]-4-[methyl(pyrrolidin-3-yl)amino]benzamide CAS Name: N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-4-[methyl(3-pyrrolidinyl)amino]benzamide IUPAC Name: N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-[methyl(pyrrolidin-3-yl)amino]benzamide Traditional Name: N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]-4-[methyl(pyrrolidin-3-yl)amino]benzamide Formula: C28H29N7O MolecularWeight: 479.57616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)N(C)C3CCNC3)NC4=NC=CC(=N4)C5=CN=CC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)N(C)C3CCNC3)NC4=NC=CC(=N4)C5=CN=CC=C5

InChI

InChI=1S/C28H29N7O/c1-19-5-8-22(16-26(19)34-28-31-15-12-25(33-28)21-4-3-13-29-17-21)32-27(36)20-6-9-23(10-7-20)35(2)24-11-14-30-18-24/h3-10,12-13,15-17,24,30H,11,14,18H2,1-2H3,(H,32,36)(H,31,33,34)