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

Systemtic Name: [6-(2-ethylpiperidin-1-yl)pyridin-3-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone Openeye Name: [6-(2-ethyl-1-piperidyl)-3-pyridyl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone CAS Name: [6-(2-ethyl-1-piperidinyl)-3-pyridinyl]-[4-(2-pyrimidinyl)-1,4-diazepan-1-yl]methanone IUPAC Name: [6-(2-ethylpiperidin-1-yl)pyridin-3-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone Traditional Name: [6-(2-ethylpiperidino)-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:

CCC1CCCCN1C2=NC=C(C=C2)C(=O)N3CCCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CCC1CCCCN1C2=NC=C(C=C2)C(=O)N3CCCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C22H30N6O/c1-2-19-7-3-4-14-28(19)20-9-8-18(17-25-20)21(29)26-12-6-13-27(16-15-26)22-23-10-5-11-24-22/h5,8-11,17,19H,2-4,6-7,12-16H2,1H3