N-(cyclohexylmethyl)-N-(pyridin-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Systemtic Name: N-(cyclohexylmethyl)-N-(pyridin-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-(cyclohexylmethyl)-N-(2-pyridylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-(cyclohexylmethyl)-N-(2-pyridinylmethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-(cyclohexylmethyl)-N-(pyridin-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-(cyclohexylmethyl)-N-(2-pyridylmethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C23H28N2O3 MolecularWeight: 380.48002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN(CC2=CC=CC=N2)C(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1CCC(CC1)CN(CC2=CC=CC=N2)C(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C23H28N2O3/c26-23(19-10-11-21-22(15-19)28-14-6-13-27-21)25(16-18-7-2-1-3-8-18)17-20-9-4-5-12-24-20/h4-5,9-12,15,18H,1-3,6-8,13-14,16-17H2