3-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl]-(4-methoxyphenyl)amino]propanamide

Systemtic Name: 3-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl]-(4-methoxyphenyl)amino]propanamide Openeye Name: 3-(N-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethyl]-4-methoxy-anilino)propanamide CAS Name: 3-(N-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl]-4-methoxyanilino)propanamide IUPAC Name: 3-(N-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl]-4-methoxyanilino)propanamide Traditional Name: 3-(N-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-ethyl]-4-methoxy-anilino)propionamide Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(CCC(=O)N)CC(=O)NC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

COC1=CC=C(C=C1)N(CCC(=O)N)CC(=O)NC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C21H25N3O5/c1-27-17-6-4-16(5-7-17)24(10-9-20(22)25)14-21(26)23-15-3-8-18-19(13-15)29-12-2-11-28-18/h3-8,13H,2,9-12,14H2,1H3,(H2,22,25)(H,23,26)