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

Systemtic Name: 1-[[4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]carbonyl]-N,N-dimethyl-4-phenyl-piperidine-4-carboxamide Openeye Name: 1-[4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carbonyl]-N,N-dimethyl-4-phenyl-piperidine-4-carboxamide CAS Name: 1-[[4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-oxomethyl]-N,N-dimethyl-4-phenyl-4-piperidinecarboxamide IUPAC Name: 1-[4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carbonyl]-N,N-dimethyl-4-phenylpiperidine-4-carboxamide Traditional Name: 1-[4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carbonyl]-N,N-dimethyl-4-phenyl-isonipecotamide Formula: C31H35N7O3 MolecularWeight: 553.6547

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

InChI

InChI=1S/C31H35N7O3/c1-21(39)32-16-17-33-27-24-20-25(34-28(24)36-26(35-27)22-10-6-4-7-11-22)29(40)38-18-14-31(15-19-38,30(41)37(2)3)23-12-8-5-9-13-23/h4-13,20H,14-19H2,1-3H3,(H,32,39)(H2,33,34,35,36)