3-[4-(azepan-1-ylsulfonyl)phenyl]-3-oxidanylidene-2-(4-oxidanylidene-1H-quinazolin-2-yl)propanenitrile

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-3-oxidanylidene-2-(4-oxidanylidene-1H-quinazolin-2-yl)propanenitrile Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-3-oxo-2-(4-oxo-1H-quinazolin-2-yl)propanenitrile CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-3-oxo-2-(4-oxo-1H-quinazolin-2-yl)propanenitrile IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-3-oxo-2-(4-oxo-1H-quinazolin-2-yl)propanenitrile Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-3-keto-2-(4-keto-1H-quinazolin-2-yl)propionitrile Formula: C23H22N4O4S MolecularWeight: 450.51018

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)C(C#N)C3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)C(C#N)C3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C23H22N4O4S/c24-15-19(22-25-20-8-4-3-7-18(20)23(29)26-22)21(28)16-9-11-17(12-10-16)32(30,31)27-13-5-1-2-6-14-27/h3-4,7-12,19H,1-2,5-6,13-14H2,(H,25,26,29)