N-(5-acetamido-2-methoxy-phenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)propanamide

Systemtic Name: N-(5-acetamido-2-methoxy-phenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)propanamide Openeye Name: N-(5-acetamido-2-methoxy-phenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)propanamide CAS Name: N-(5-acetamido-2-methoxyphenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)propanamide IUPAC Name: N-(5-acetamido-2-methoxyphenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)propanamide Traditional Name: N-(5-acetamido-2-methoxy-phenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)propionamide Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5/c1-13(22-16-6-8-19-20(12-16)29-10-4-9-28-19)21(26)24-17-11-15(23-14(2)25)5-7-18(17)27-3/h5-8,11-13,22H,4,9-10H2,1-3H3,(H,23,25)(H,24,26)