N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(8-methyl-4-oxidanylidene-quinazolin-3-yl)propanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(8-methyl-4-oxidanylidene-quinazolin-3-yl)propanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(8-methyl-4-oxo-quinazolin-3-yl)propanamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-3-(8-methyl-4-oxo-3-quinazolinyl)propanamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(4-keto-8-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=C(C2=O)C=CC=C3C)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCN2C=NC3=C(C2=O)C=CC=C3C)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H30N4O4S/c1-18-10-11-20(16-22(18)34(32,33)29-13-5-3-4-6-14-29)27-23(30)12-15-28-17-26-24-19(2)8-7-9-21(24)25(28)31/h7-11,16-17H,3-6,12-15H2,1-2H3,(H,27,30)