N-[3-[[4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-4-methyl-phenyl]-4-methyl-benzamide

Systemtic Name: N-[3-[[4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-4-methyl-phenyl]-4-methyl-benzamide Openeye Name: N-[3-[[4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-4-methyl-phenyl]-4-methyl-benzamide CAS Name: N-[3-[[4-(1H-indol-3-yl)-2-pyrimidinyl]amino]-4-methylphenyl]-4-methylbenzamide IUPAC Name: N-[3-[[4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-4-methylphenyl]-4-methylbenzamide Traditional Name: N-[3-[[4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-4-methyl-phenyl]-4-methyl-benzamide Formula: C27H23N5O MolecularWeight: 433.50442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)C)NC3=NC=CC(=N3)C4=CNC5=CC=CC=C54

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)C)NC3=NC=CC(=N3)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C27H23N5O/c1-17-7-10-19(11-8-17)26(33)30-20-12-9-18(2)25(15-20)32-27-28-14-13-24(31-27)22-16-29-23-6-4-3-5-21(22)23/h3-16,29H,1-2H3,(H,30,33)(H,28,31,32)