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

Systemtic Name: 1-cyclohexyl-4-(3-prop-2-enoxyphenyl)carbonyl-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 4-(3-allyloxybenzoyl)-1-cyclohexyl-6-(3-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 1-cyclohexyl-4-[oxo-(3-prop-2-enoxyphenyl)methyl]-6-(3-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-cyclohexyl-4-(3-prop-2-enoxybenzoyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 4-(3-allyloxybenzoyl)-1-cyclohexyl-6-(3-pyridylmethoxy)-1,4-diazepan-2-one Formula: C27H33N3O4 MolecularWeight: 463.56862

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=CC(=C1)C(=O)N2CC(CN(C(=O)C2)C3CCCCC3)OCC4=CN=CC=C4

Isomeric SMILES

C=CCOC1=CC=CC(=C1)C(=O)N2CC(CN(C(=O)C2)C3CCCCC3)OCC4=CN=CC=C4

InChI

InChI=1S/C27H33N3O4/c1-2-14-33-24-12-6-9-22(15-24)27(32)29-17-25(34-20-21-8-7-13-28-16-21)18-30(26(31)19-29)23-10-4-3-5-11-23/h2,6-9,12-13,15-16,23,25H,1,3-5,10-11,14,17-20H2