1-cyclohexyl-6-(pyridin-3-ylmethoxy)-4-(quinolin-6-ylmethyl)-1,4-diazepan-2-one

Systemtic Name: 1-cyclohexyl-6-(pyridin-3-ylmethoxy)-4-(quinolin-6-ylmethyl)-1,4-diazepan-2-one Openeye Name: 1-cyclohexyl-6-(3-pyridylmethoxy)-4-(6-quinolylmethyl)-1,4-diazepan-2-one CAS Name: 1-cyclohexyl-6-(3-pyridinylmethoxy)-4-(6-quinolinylmethyl)-1,4-diazepan-2-one IUPAC Name: 1-cyclohexyl-6-(pyridin-3-ylmethoxy)-4-(quinolin-6-ylmethyl)-1,4-diazepan-2-one Traditional Name: 1-cyclohexyl-6-(3-pyridylmethoxy)-4-(6-quinolylmethyl)-1,4-diazepan-2-one Formula: C27H32N4O2 MolecularWeight: 444.56858

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CC(CN(CC2=O)CC3=CC4=C(C=C3)N=CC=C4)OCC5=CN=CC=C5

Isomeric SMILES

C1CCC(CC1)N2CC(CN(CC2=O)CC3=CC4=C(C=C3)N=CC=C4)OCC5=CN=CC=C5

InChI

InChI=1S/C27H32N4O2/c32-27-19-30(16-21-10-11-26-23(14-21)7-5-13-29-26)17-25(33-20-22-6-4-12-28-15-22)18-31(27)24-8-2-1-3-9-24/h4-7,10-15,24-25H,1-3,8-9,16-20H2