2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-N-[(2,4-dimethylphenyl)carbamoyl]propanamide

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-N-[(2,4-dimethylphenyl)carbamoyl]propanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-N-[(2,4-dimethylphenyl)carbamoyl]propanamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-N-[(2,4-dimethylanilino)-oxomethyl]propanamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-N-[(2,4-dimethylphenyl)carbamoyl]propanamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-N-[(2,4-dimethylphenyl)carbamoyl]propionamide Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)NC(=O)C(C)NC2=CC3=C(C=C2)OCCCO3)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)NC(=O)C(C)NC2=CC3=C(C=C2)OCCCO3)C

InChI

InChI=1S/C21H25N3O4/c1-13-5-7-17(14(2)11-13)23-21(26)24-20(25)15(3)22-16-6-8-18-19(12-16)28-10-4-9-27-18/h5-8,11-12,15,22H,4,9-10H2,1-3H3,(H2,23,24,25,26)