N'-[4-(azepan-1-yl)pyrimidin-2-yl]-N-(3-cyanophenyl)-4-piperidin-1-yl-piperidine-1-carbohydrazide

Systemtic Name: N'-[4-(azepan-1-yl)pyrimidin-2-yl]-N-(3-cyanophenyl)-4-piperidin-1-yl-piperidine-1-carbohydrazide Openeye Name: N'-[4-(azepan-1-yl)pyrimidin-2-yl]-N-(3-cyanophenyl)-4-(1-piperidyl)piperidine-1-carbohydrazide CAS Name: N'-[4-(1-azepanyl)-2-pyrimidinyl]-N-(3-cyanophenyl)-4-(1-piperidinyl)-1-piperidinecarbohydrazide IUPAC Name: N'-[4-(azepan-1-yl)pyrimidin-2-yl]-N-(3-cyanophenyl)-4-piperidin-1-ylpiperidine-1-carbohydrazide Traditional Name: N'-[4-(azepan-1-yl)pyrimidin-2-yl]-N-(3-cyanophenyl)-4-piperidino-piperidine-1-carbohydrazide Formula: C28H38N8O MolecularWeight: 502.65432

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=NC=C2)NN(C3=CC=CC(=C3)C#N)C(=O)N4CCC(CC4)N5CCCCC5

Isomeric SMILES

C1CCCN(CC1)C2=NC(=NC=C2)NN(C3=CC=CC(=C3)C#N)C(=O)N4CCC(CC4)N5CCCCC5

InChI

InChI=1S/C28H38N8O/c29-22-23-9-8-10-25(21-23)36(28(37)35-19-12-24(13-20-35)33-15-6-3-7-16-33)32-27-30-14-11-26(31-27)34-17-4-1-2-5-18-34/h8-11,14,21,24H,1-7,12-13,15-20H2,(H,30,31,32)