N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methyl-2-[(phenylmethyl)carbamoylamino]butanamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methyl-2-[(phenylmethyl)carbamoylamino]butanamide Openeye Name: 2-(benzylcarbamoylamino)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methyl-butanamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methyl-2-[[oxo-[(phenylmethyl)amino]methyl]amino]butanamide IUPAC Name: 2-(benzylcarbamoylamino)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methylbutanamide Traditional Name: 2-(benzylcarbamoylamino)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methyl-butyramide Formula: C22H27N3O4 MolecularWeight: 397.46748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC2=C(C=C1)OCCCO2)NC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC(C)C(C(=O)NC1=CC2=C(C=C1)OCCCO2)NC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O4/c1-15(2)20(25-22(27)23-14-16-7-4-3-5-8-16)21(26)24-17-9-10-18-19(13-17)29-12-6-11-28-18/h3-5,7-10,13,15,20H,6,11-12,14H2,1-2H3,(H,24,26)(H2,23,25,27)