[6-(dicyclopropylmethylamino)pyridin-3-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone

Systemtic Name: [6-(dicyclopropylmethylamino)pyridin-3-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone Openeye Name: [6-(dicyclopropylmethylamino)-3-pyridyl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone CAS Name: [6-(dicyclopropylmethylamino)-3-pyridinyl]-[4-(2-pyrimidinyl)-1,4-diazepan-1-yl]methanone IUPAC Name: [6-(dicyclopropylmethylamino)pyridin-3-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone Traditional Name: [6-(dicyclopropylmethylamino)-3-pyridyl]-[4-(2-pyrimidyl)-1,4-diazepan-1-yl]methanone Formula: C22H28N6O MolecularWeight: 392.49732

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CN=C(C=C2)NC(C3CC3)C4CC4)C5=NC=CC=N5

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CN=C(C=C2)NC(C3CC3)C4CC4)C5=NC=CC=N5

InChI

InChI=1S/C22H28N6O/c29-21(27-11-2-12-28(14-13-27)22-23-9-1-10-24-22)18-7-8-19(25-15-18)26-20(16-3-4-16)17-5-6-17/h1,7-10,15-17,20H,2-6,11-14H2,(H,25,26)