4-[[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)propanoyl]amino]benzamide

Systemtic Name: 4-[[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)propanoyl]amino]benzamide Openeye Name: 4-[[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)propanoyl]amino]benzamide CAS Name: 4-[[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-1-oxopropyl]amino]benzamide IUPAC Name: 4-[[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)propanoyl]amino]benzamide Traditional Name: 4-[[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)propanoyl]amino]benzamide Formula: C19H21N3O4 MolecularWeight: 355.38774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)NC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C(=O)N)NC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C19H21N3O4/c1-12(19(24)22-14-5-3-13(4-6-14)18(20)23)21-15-7-8-16-17(11-15)26-10-2-9-25-16/h3-8,11-12,21H,2,9-10H2,1H3,(H2,20,23)(H,22,24)/t12-/m0/s1