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

Systemtic Name: 1-[[4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]carbonyl]-N-tert-butyl-4-phenyl-piperidine-4-carboxamide Openeye Name: 1-[4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carbonyl]-N-tert-butyl-4-phenyl-piperidine-4-carboxamide CAS Name: 1-[[4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-oxomethyl]-N-tert-butyl-4-phenyl-4-piperidinecarboxamide IUPAC Name: 1-[4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carbonyl]-N-tert-butyl-4-phenylpiperidine-4-carboxamide Traditional Name: 1-[4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carbonyl]-N-tert-butyl-4-phenyl-isonipecotamide Formula: C33H39N7O3 MolecularWeight: 581.70786

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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(C)(C)C)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(C)(C)C)C5=CC=CC=C5

InChI

InChI=1S/C33H39N7O3/c1-22(41)34-17-18-35-28-25-21-26(36-29(25)38-27(37-28)23-11-7-5-8-12-23)30(42)40-19-15-33(16-20-40,24-13-9-6-10-14-24)31(43)39-32(2,3)4/h5-14,21H,15-20H2,1-4H3,(H,34,41)(H,39,43)(H2,35,36,37,38)