N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(2-methyl-4-oxidanylidene-quinazolin-3-yl)propanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(2-methyl-4-oxidanylidene-quinazolin-3-yl)propanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(2-methyl-4-oxo-quinazolin-3-yl)propanamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-3-(2-methyl-4-oxo-3-quinazolinyl)propanamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-(2-methyl-4-oxoquinazolin-3-yl)propanamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(4-keto-2-methyl-quinazolin-3-yl)propionamide Formula: C25H30N4O4S MolecularWeight: 482.5951

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCN2C(=NC3=CC=CC=C3C2=O)C)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCN2C(=NC3=CC=CC=C3C2=O)C)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H30N4O4S/c1-18-11-12-20(17-23(18)34(32,33)28-14-7-3-4-8-15-28)27-24(30)13-16-29-19(2)26-22-10-6-5-9-21(22)25(29)31/h5-6,9-12,17H,3-4,7-8,13-16H2,1-2H3,(H,27,30)