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

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

CN(C1CCCCC1)C2=NC=C(C=C2)C(=O)N3CCCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CN(C1CCCCC1)C2=NC=C(C=C2)C(=O)N3CCCN(CC3)C4=NC=CC=N4

InChI

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