(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methyl-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]prop-2-enamide

Systemtic Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methyl-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]prop-2-enamide Openeye Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]prop-2-enamide CAS Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-2-propenamide IUPAC Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]prop-2-enamide Traditional Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[(4-keto-1H-quinazolin-2-yl)methyl]-N-methyl-acrylamide Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)C=CC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)/C=C/C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C22H21N3O4/c1-25(14-20-23-17-6-3-2-5-16(17)22(27)24-20)21(26)10-8-15-7-9-18-19(13-15)29-12-4-11-28-18/h2-3,5-10,13H,4,11-12,14H2,1H3,(H,23,24,27)/b10-8+