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

Systemtic Name: [6-(3-methylpiperidin-1-yl)pyridin-3-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone Openeye Name: [6-(3-methyl-1-piperidyl)-3-pyridyl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone CAS Name: [6-(3-methyl-1-piperidinyl)-3-pyridinyl]-[4-(2-pyrimidinyl)-1,4-diazepan-1-yl]methanone IUPAC Name: [6-(3-methylpiperidin-1-yl)pyridin-3-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone Traditional Name: [6-(3-methylpiperidino)-3-pyridyl]-[4-(2-pyrimidyl)-1,4-diazepan-1-yl]methanone Formula: C21H28N6O MolecularWeight: 380.48662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=NC=C(C=C2)C(=O)N3CCCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1CCCN(C1)C2=NC=C(C=C2)C(=O)N3CCCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H28N6O/c1-17-5-2-10-27(16-17)19-7-6-18(15-24-19)20(28)25-11-4-12-26(14-13-25)21-22-8-3-9-23-21/h3,6-9,15,17H,2,4-5,10-14,16H2,1H3