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

Systemtic Name: [6-(azocan-1-yl)pyridin-3-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone Openeye Name: [6-(azocan-1-yl)-3-pyridyl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone CAS Name: [6-(1-azocanyl)-3-pyridinyl]-[4-(2-pyrimidinyl)-1,4-diazepan-1-yl]methanone IUPAC Name: [6-(azocan-1-yl)pyridin-3-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone Traditional Name: [6-(azocan-1-yl)-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:

C1CCCN(CCC1)C2=NC=C(C=C2)C(=O)N3CCCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1CCCN(CCC1)C2=NC=C(C=C2)C(=O)N3CCCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C22H30N6O/c29-21(27-14-7-15-28(17-16-27)22-23-10-6-11-24-22)19-8-9-20(25-18-19)26-12-4-2-1-3-5-13-26/h6,8-11,18H,1-5,7,12-17H2