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

Systemtic Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-methyl-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]prop-2-enamide Openeye Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-methyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]prop-2-enamide CAS Name: (E)-3-[4-(1-azepanylsulfonyl)phenyl]-N-methyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-2-propenamide IUPAC Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-methyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]prop-2-enamide Traditional Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(4-keto-1H-quinazolin-2-yl)methyl]-N-methyl-acrylamide Formula: C25H28N4O4S MolecularWeight: 480.57922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N4O4S/c1-28(18-23-26-22-9-5-4-8-21(22)25(31)27-23)24(30)15-12-19-10-13-20(14-11-19)34(32,33)29-16-6-2-3-7-17-29/h4-5,8-15H,2-3,6-7,16-18H2,1H3,(H,26,27,31)/b15-12+