N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(3-methyl-4-oxidanylidene-quinazolin-2-yl)propanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(3-methyl-4-oxidanylidene-quinazolin-2-yl)propanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(3-methyl-4-oxo-quinazolin-2-yl)propanamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-3-(3-methyl-4-oxo-2-quinazolinyl)propanamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(4-keto-3-methyl-quinazolin-2-yl)propionamide Formula: C25H30N4O5S MolecularWeight: 498.5945

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=CC=CC=C2C1=O)CCC(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCCCC4)OC

Isomeric SMILES

CN1C(=NC2=CC=CC=C2C1=O)CCC(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCCCC4)OC

InChI

InChI=1S/C25H30N4O5S/c1-28-23(26-20-10-6-5-9-19(20)25(28)31)13-14-24(30)27-21-17-18(11-12-22(21)34-2)35(32,33)29-15-7-3-4-8-16-29/h5-6,9-12,17H,3-4,7-8,13-16H2,1-2H3,(H,27,30)