4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-(furan-2-ylmethyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-(furan-2-ylmethyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-[1-(4,6-dimethylpyrimidin-2-yl)-4-piperidyl]-N-(2-furylmethyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[1-(4,6-dimethyl-2-pyrimidinyl)-4-piperidinyl]-N-(2-furanylmethyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-(furan-2-ylmethyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-[1-(4,6-dimethylpyrimidin-2-yl)-4-piperidyl]-N-(2-furfuryl)-1,4-diazepane-1-carboxamide Formula: C22H32N6O2 MolecularWeight: 412.52848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2CCC(CC2)N3CCCN(CC3)C(=O)NCC4=CC=CO4)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2CCC(CC2)N3CCCN(CC3)C(=O)NCC4=CC=CO4)C

InChI

InChI=1S/C22H32N6O2/c1-17-15-18(2)25-21(24-17)27-10-6-19(7-11-27)26-8-4-9-28(13-12-26)22(29)23-16-20-5-3-14-30-20/h3,5,14-15,19H,4,6-13,16H2,1-2H3,(H,23,29)