5-cyclohexyl-1-(2-cyclohexyl-2-oxidanylidene-ethyl)-3H-1,3,4-benzotriazepin-2-one

Systemtic Name: 5-cyclohexyl-1-(2-cyclohexyl-2-oxidanylidene-ethyl)-3H-1,3,4-benzotriazepin-2-one Openeye Name: 5-cyclohexyl-1-(2-cyclohexyl-2-oxo-ethyl)-3H-1,3,4-benzotriazepin-2-one CAS Name: 5-cyclohexyl-1-(2-cyclohexyl-2-oxoethyl)-3H-1,3,4-benzotriazepin-2-one IUPAC Name: 5-cyclohexyl-1-(2-cyclohexyl-2-oxoethyl)-3H-1,3,4-benzotriazepin-2-one Traditional Name: 5-cyclohexyl-1-(2-cyclohexyl-2-keto-ethyl)-3H-1,3,4-benzotriazepin-2-one Formula: C22H29N3O2 MolecularWeight: 367.48456

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NNC(=O)N(C3=CC=CC=C32)CC(=O)C4CCCCC4

Isomeric SMILES

C1CCC(CC1)C2=NNC(=O)N(C3=CC=CC=C32)CC(=O)C4CCCCC4

InChI

InChI=1S/C22H29N3O2/c26-20(16-9-3-1-4-10-16)15-25-19-14-8-7-13-18(19)21(23-24-22(25)27)17-11-5-2-6-12-17/h7-8,13-14,16-17H,1-6,9-12,15H2,(H,24,27)