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

Systemtic Name: propan-2-yl 1-[[4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]carbonyl]-4-phenyl-piperidine-4-carboxylate Openeye Name: isopropyl 1-[4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carbonyl]-4-phenyl-piperidine-4-carboxylate CAS Name: 1-[[4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-oxomethyl]-4-phenyl-4-piperidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 1-[4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carbonyl]-4-phenylpiperidine-4-carboxylate Traditional Name: 1-[4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carbonyl]-4-phenyl-isonipecotic acid isopropyl ester Formula: C32H36N6O4 MolecularWeight: 568.66604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1(CCN(CC1)C(=O)C2=CC3=C(N2)N=C(N=C3NCCNC(=O)C)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(C)OC(=O)C1(CCN(CC1)C(=O)C2=CC3=C(N2)N=C(N=C3NCCNC(=O)C)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C32H36N6O4/c1-21(2)42-31(41)32(24-12-8-5-9-13-24)14-18-38(19-15-32)30(40)26-20-25-28(34-17-16-33-22(3)39)36-27(37-29(25)35-26)23-10-6-4-7-11-23/h4-13,20-21H,14-19H2,1-3H3,(H,33,39)(H2,34,35,36,37)