ethyl 1-[6-(3-cyanophenyl)sulfonyl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[6-(3-cyanophenyl)sulfonyl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-(3-cyanophenyl)sulfonyl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-(3-cyanophenyl)sulfonyl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-(3-cyanophenyl)sulfonyl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(3-cyanophenyl)sulfonyl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C28H29N5O4S MolecularWeight: 531.62596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=NC(=NC3=C2CN(CC3)S(=O)(=O)C4=CC=CC(=C4)C#N)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=NC(=NC3=C2CN(CC3)S(=O)(=O)C4=CC=CC(=C4)C#N)C5=CC=CC=C5

InChI

InChI=1S/C28H29N5O4S/c1-2-37-28(34)22-11-14-32(15-12-22)27-24-19-33(38(35,36)23-10-6-7-20(17-23)18-29)16-13-25(24)30-26(31-27)21-8-4-3-5-9-21/h3-10,17,22H,2,11-16,19H2,1H3