N-[[4-[[[3-bromanyl-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]methyl]-2,4,6-trimethyl-benzamide

Systemtic Name: N-[[4-[[[3-bromanyl-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]methyl]-2,4,6-trimethyl-benzamide Openeye Name: N-[[4-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]methyl]-2,4,6-trimethyl-benzamide CAS Name: N-[[4-[[[3-bromo-5-(2-chlorophenyl)-7-pyrazolo[1,5-a]pyrimidinyl]amino]methyl]phenyl]methyl]-2,4,6-trimethylbenzamide IUPAC Name: N-[[4-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]methyl]-2,4,6-trimethylbenzamide Traditional Name: N-[4-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]benzyl]-2,4,6-trimethyl-benzamide Formula: C30H27BrClN5O MolecularWeight: 588.92528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)NCC2=CC=C(C=C2)CNC3=CC(=NC4=C(C=NN34)Br)C5=CC=CC=C5Cl)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)NCC2=CC=C(C=C2)CNC3=CC(=NC4=C(C=NN34)Br)C5=CC=CC=C5Cl)C

InChI

InChI=1S/C30H27BrClN5O/c1-18-12-19(2)28(20(3)13-18)30(38)34-16-22-10-8-21(9-11-22)15-33-27-14-26(23-6-4-5-7-25(23)32)36-29-24(31)17-35-37(27)29/h4-14,17,33H,15-16H2,1-3H3,(H,34,38)