(Z)-2-acetamido-N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-phenyl-prop-2-enamide

Systemtic Name: (Z)-2-acetamido-N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-phenyl-prop-2-enamide Openeye Name: (Z)-2-acetamido-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-phenyl-prop-2-enamide CAS Name: (Z)-2-acetamido-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-phenyl-2-propenamide IUPAC Name: (Z)-2-acetamido-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-phenylprop-2-enamide Traditional Name: (Z)-2-acetamido-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-phenyl-acrylamide Formula: C21H21ClN2O4 MolecularWeight: 400.85544

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=CC1=CC=CC=C1)C(=O)NCC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

CC(=O)N/C(=C\C1=CC=CC=C1)/C(=O)NCC2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C21H21ClN2O4/c1-14(25)24-18(11-15-6-3-2-4-7-15)21(26)23-13-16-10-17(22)20-19(12-16)27-8-5-9-28-20/h2-4,6-7,10-12H,5,8-9,13H2,1H3,(H,23,26)(H,24,25)/b18-11-