N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-[(4-methoxyphenyl)carbamoylamino]propanamide

Systemtic Name: N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-[(4-methoxyphenyl)carbamoylamino]propanamide Openeye Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-[(4-methoxyphenyl)carbamoylamino]propanamide CAS Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-[[(4-methoxyanilino)-oxomethyl]amino]propanamide IUPAC Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-[(4-methoxyphenyl)carbamoylamino]propanamide Traditional Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-[(4-methoxyphenyl)carbamoylamino]propionamide Formula: C21H24ClN3O5 MolecularWeight: 433.88536

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)NCCC(=O)NCC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)NCCC(=O)NCC2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C21H24ClN3O5/c1-28-16-5-3-15(4-6-16)25-21(27)23-8-7-19(26)24-13-14-11-17(22)20-18(12-14)29-9-2-10-30-20/h3-6,11-12H,2,7-10,13H2,1H3,(H,24,26)(H2,23,25,27)