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

Systemtic Name: ethyl 1-[[4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]carbonyl]-4-phenyl-piperidine-4-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C31H34N6O4 MolecularWeight: 554.63946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=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

CCOC(=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/C31H34N6O4/c1-3-41-30(40)31(23-12-8-5-9-13-23)14-18-37(19-15-31)29(39)25-20-24-27(33-17-16-32-21(2)38)35-26(36-28(24)34-25)22-10-6-4-7-11-22/h4-13,20H,3,14-19H2,1-2H3,(H,32,38)(H2,33,34,35,36)