1-[[4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]carbonyl]-N-methyl-4-phenyl-piperidine-4-carboxamide

Systemtic Name: 1-[[4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]carbonyl]-N-methyl-4-phenyl-piperidine-4-carboxamide Openeye Name: 1-[4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carbonyl]-N-methyl-4-phenyl-piperidine-4-carboxamide CAS Name: 1-[[4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-oxomethyl]-N-methyl-4-phenyl-4-piperidinecarboxamide IUPAC Name: 1-[4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carbonyl]-N-methyl-4-phenylpiperidine-4-carboxamide Traditional Name: 1-[4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carbonyl]-N-methyl-4-phenyl-isonipecotamide Formula: C30H33N7O3 MolecularWeight: 539.62812

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC2=C1C=C(N2)C(=O)N3CCC(CC3)(C4=CC=CC=C4)C(=O)NC)C5=CC=CC=C5

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC2=C1C=C(N2)C(=O)N3CCC(CC3)(C4=CC=CC=C4)C(=O)NC)C5=CC=CC=C5

InChI

InChI=1S/C30H33N7O3/c1-20(38)32-15-16-33-26-23-19-24(34-27(23)36-25(35-26)21-9-5-3-6-10-21)28(39)37-17-13-30(14-18-37,29(40)31-2)22-11-7-4-8-12-22/h3-12,19H,13-18H2,1-2H3,(H,31,40)(H,32,38)(H2,33,34,35,36)