1-cyclohexyl-4-(3-ethynylphenyl)carbonyl-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 1-cyclohexyl-4-(3-ethynylphenyl)carbonyl-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 1-cyclohexyl-4-(3-ethynylbenzoyl)-6-(4-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 1-cyclohexyl-4-[(3-ethynylphenyl)-oxomethyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-cyclohexyl-4-(3-ethynylbenzoyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 1-cyclohexyl-4-(3-ethynylbenzoyl)-6-(4-pyridylmethoxy)-1,4-diazepan-2-one Formula: C26H29N3O3 MolecularWeight: 431.52676

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)C(=O)N2CC(CN(C(=O)C2)C3CCCCC3)OCC4=CC=NC=C4

Isomeric SMILES

C#CC1=CC(=CC=C1)C(=O)N2CC(CN(C(=O)C2)C3CCCCC3)OCC4=CC=NC=C4

InChI

InChI=1S/C26H29N3O3/c1-2-20-7-6-8-22(15-20)26(31)28-16-24(32-19-21-11-13-27-14-12-21)17-29(25(30)18-28)23-9-4-3-5-10-23/h1,6-8,11-15,23-24H,3-5,9-10,16-19H2