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

Systemtic Name: 1-[[4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]carbonyl]-4-phenyl-piperidine-4-carboxamide Openeye Name: 1-[4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carbonyl]-4-phenyl-piperidine-4-carboxamide CAS Name: 1-[[4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-oxomethyl]-4-phenyl-4-piperidinecarboxamide IUPAC Name: 1-[4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carbonyl]-4-phenylpiperidine-4-carboxamide Traditional Name: 1-[4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carbonyl]-4-phenyl-isonipecotamide Formula: C29H31N7O3 MolecularWeight: 525.60154

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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)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)C5=CC=CC=C5

InChI

InChI=1S/C29H31N7O3/c1-19(37)31-14-15-32-25-22-18-23(33-26(22)35-24(34-25)20-8-4-2-5-9-20)27(38)36-16-12-29(13-17-36,28(30)39)21-10-6-3-7-11-21/h2-11,18H,12-17H2,1H3,(H2,30,39)(H,31,37)(H2,32,33,34,35)