(4-cyclohexyl-1,4-diazepan-1-yl)-[6-(2-pyrazol-1-ylethylamino)pyridin-3-yl]methanone

Systemtic Name: (4-cyclohexyl-1,4-diazepan-1-yl)-[6-(2-pyrazol-1-ylethylamino)pyridin-3-yl]methanone Openeye Name: (4-cyclohexyl-1,4-diazepan-1-yl)-[6-(2-pyrazol-1-ylethylamino)-3-pyridyl]methanone CAS Name: (4-cyclohexyl-1,4-diazepan-1-yl)-[6-[2-(1-pyrazolyl)ethylamino]-3-pyridinyl]methanone IUPAC Name: (4-cyclohexyl-1,4-diazepan-1-yl)-[6-(2-pyrazol-1-ylethylamino)pyridin-3-yl]methanone Traditional Name: (4-cyclohexyl-1,4-diazepan-1-yl)-[6-(2-pyrazol-1-ylethylamino)-3-pyridyl]methanone Formula: C22H32N6O MolecularWeight: 396.52908

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCCN(CC2)C(=O)C3=CN=C(C=C3)NCCN4C=CC=N4

Isomeric SMILES

C1CCC(CC1)N2CCCN(CC2)C(=O)C3=CN=C(C=C3)NCCN4C=CC=N4

InChI

InChI=1S/C22H32N6O/c29-22(27-13-5-12-26(16-17-27)20-6-2-1-3-7-20)19-8-9-21(24-18-19)23-11-15-28-14-4-10-25-28/h4,8-10,14,18,20H,1-3,5-7,11-13,15-17H2,(H,23,24)