tert-butyl 3-[[4-[(Z)-cyano-(3-ethyl-1H-benzimidazol-2-ylidene)methyl]-5-methyl-pyrimidin-2-yl]carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[[4-[(Z)-cyano-(3-ethyl-1H-benzimidazol-2-ylidene)methyl]-5-methyl-pyrimidin-2-yl]carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[[4-[(Z)-cyano-(3-ethyl-1H-benzimidazol-2-ylidene)methyl]-5-methyl-pyrimidin-2-yl]carbamoyl]piperidine-1-carboxylate CAS Name: 3-[[[4-[(Z)-cyano-(3-ethyl-1H-benzimidazol-2-ylidene)methyl]-5-methyl-2-pyrimidinyl]amino]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[4-[(Z)-cyano-(3-ethyl-1H-benzimidazol-2-ylidene)methyl]-5-methylpyrimidin-2-yl]carbamoyl]piperidine-1-carboxylate Traditional Name: 3-[[4-[(Z)-cyano-(3-ethyl-1H-benzimidazol-2-ylidene)methyl]-5-methyl-pyrimidin-2-yl]carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C27H33N7O3 MolecularWeight: 503.59602

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2NC1=C(C#N)C3=NC(=NC=C3C)NC(=O)C4CCCN(C4)C(=O)OC(C)(C)C

Isomeric SMILES

CCN\1C2=CC=CC=C2N/C1=C(/C#N)\C3=NC(=NC=C3C)NC(=O)C4CCCN(C4)C(=O)OC(C)(C)C

InChI

InChI=1S/C27H33N7O3/c1-6-34-21-12-8-7-11-20(21)30-23(34)19(14-28)22-17(2)15-29-25(31-22)32-24(35)18-10-9-13-33(16-18)26(36)37-27(3,4)5/h7-8,11-12,15,18,30H,6,9-10,13,16H2,1-5H3,(H,29,31,32,35)/b23-19+