[4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1,4-diazepan-1-yl]-pyridin-4-yl-methanone

Systemtic Name: [4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1,4-diazepan-1-yl]-pyridin-4-yl-methanone Openeye Name: [4-[1-(4,6-dimethylpyrimidin-2-yl)-4-piperidyl]-1,4-diazepan-1-yl]-(4-pyridyl)methanone CAS Name: [4-[1-(4,6-dimethyl-2-pyrimidinyl)-4-piperidinyl]-1,4-diazepan-1-yl]-pyridin-4-ylmethanone IUPAC Name: [4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1,4-diazepan-1-yl]-pyridin-4-ylmethanone Traditional Name: [4-[1-(4,6-dimethylpyrimidin-2-yl)-4-piperidyl]-1,4-diazepan-1-yl]-(4-pyridyl)methanone Formula: C22H30N6O MolecularWeight: 394.5132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2CCC(CC2)N3CCCN(CC3)C(=O)C4=CC=NC=C4)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2CCC(CC2)N3CCCN(CC3)C(=O)C4=CC=NC=C4)C

InChI

InChI=1S/C22H30N6O/c1-17-16-18(2)25-22(24-17)28-12-6-20(7-13-28)26-10-3-11-27(15-14-26)21(29)19-4-8-23-9-5-19/h4-5,8-9,16,20H,3,6-7,10-15H2,1-2H3