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

Systemtic Name: 4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-phenethyl-1,4-diazepane-1-carboxamide Openeye Name: 4-[1-(4,6-dimethylpyrimidin-2-yl)-4-piperidyl]-N-phenethyl-1,4-diazepane-1-carboxamide CAS Name: 4-[1-(4,6-dimethyl-2-pyrimidinyl)-4-piperidinyl]-N-phenethyl-1,4-diazepane-1-carboxamide IUPAC Name: 4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-phenethyl-1,4-diazepane-1-carboxamide Traditional Name: 4-[1-(4,6-dimethylpyrimidin-2-yl)-4-piperidyl]-N-phenethyl-1,4-diazepane-1-carboxamide Formula: C25H36N6O MolecularWeight: 436.59294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2CCC(CC2)N3CCCN(CC3)C(=O)NCCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2CCC(CC2)N3CCCN(CC3)C(=O)NCCC4=CC=CC=C4)C

InChI

InChI=1S/C25H36N6O/c1-20-19-21(2)28-24(27-20)30-15-10-23(11-16-30)29-13-6-14-31(18-17-29)25(32)26-12-9-22-7-4-3-5-8-22/h3-5,7-8,19,23H,6,9-18H2,1-2H3,(H,26,32)