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

Systemtic Name: [6-(2-cyclopentylethylamino)pyridin-3-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone Openeye Name: [6-(2-cyclopentylethylamino)-3-pyridyl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone CAS Name: [6-(2-cyclopentylethylamino)-3-pyridinyl]-[4-(2-pyrimidinyl)-1,4-diazepan-1-yl]methanone IUPAC Name: [6-(2-cyclopentylethylamino)pyridin-3-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone Traditional Name: [6-(2-cyclopentylethylamino)-3-pyridyl]-[4-(2-pyrimidyl)-1,4-diazepan-1-yl]methanone Formula: C22H30N6O MolecularWeight: 394.5132

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CCNC2=NC=C(C=C2)C(=O)N3CCCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1CCC(C1)CCNC2=NC=C(C=C2)C(=O)N3CCCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C22H30N6O/c29-21(27-13-4-14-28(16-15-27)22-24-10-3-11-25-22)19-7-8-20(26-17-19)23-12-9-18-5-1-2-6-18/h3,7-8,10-11,17-18H,1-2,4-6,9,12-16H2,(H,23,26)