(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-ethyl-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]prop-2-enamide

Systemtic Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-ethyl-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]prop-2-enamide Openeye Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-ethyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]prop-2-enamide CAS Name: (E)-3-[4-(1-azepanylsulfonyl)phenyl]-N-ethyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-2-propenamide IUPAC Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-ethyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]prop-2-enamide Traditional Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-ethyl-N-[(4-keto-1H-quinazolin-2-yl)methyl]acrylamide Formula: C26H30N4O4S MolecularWeight: 494.6058

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)C=CC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CCN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)/C=C/C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C26H30N4O4S/c1-2-29(19-24-27-23-10-6-5-9-22(23)26(32)28-24)25(31)16-13-20-11-14-21(15-12-20)35(33,34)30-17-7-3-4-8-18-30/h5-6,9-16H,2-4,7-8,17-19H2,1H3,(H,27,28,32)/b16-13+