5-azanyl-5-[(2-cyanophenyl)methyl]-2,6-bis(oxidanylidene)-3-piperidin-1-yl-4-(2H-pyrimidin-1-ylmethyl)cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 5-azanyl-5-[(2-cyanophenyl)methyl]-2,6-bis(oxidanylidene)-3-piperidin-1-yl-4-(2H-pyrimidin-1-ylmethyl)cyclohex-3-ene-1-carboxylic acid Openeye Name: 5-amino-5-[(2-cyanophenyl)methyl]-2,6-dioxo-3-(1-piperidyl)-4-(2H-pyrimidin-1-ylmethyl)cyclohex-3-ene-1-carboxylic acid CAS Name: 5-amino-5-[(2-cyanophenyl)methyl]-2,6-dioxo-3-(1-piperidinyl)-4-(2H-pyrimidin-1-ylmethyl)-1-cyclohex-3-enecarboxylic acid IUPAC Name: 5-amino-5-[(2-cyanophenyl)methyl]-2,6-dioxo-3-piperidin-1-yl-4-(2H-pyrimidin-1-ylmethyl)cyclohex-3-ene-1-carboxylic acid Traditional Name: 5-amino-5-(2-cyanobenzyl)-2,6-diketo-3-piperidino-4-(2H-pyrimidin-1-ylmethyl)cyclohex-3-ene-1-carboxylic acid Formula: C25H27N5O4 MolecularWeight: 461.51298

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C(C(=O)C(C2=O)C(=O)O)(CC3=CC=CC=C3C#N)N)CN4CN=CC=C4

Isomeric SMILES

C1CCN(CC1)C2=C(C(C(=O)C(C2=O)C(=O)O)(CC3=CC=CC=C3C#N)N)CN4CN=CC=C4

InChI

InChI=1S/C25H27N5O4/c26-14-18-8-3-2-7-17(18)13-25(27)19(15-29-10-6-9-28-16-29)21(30-11-4-1-5-12-30)22(31)20(23(25)32)24(33)34/h2-3,6-10,20H,1,4-5,11-13,15-16,27H2,(H,33,34)