azepan-1-yl-[1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)pyrrolidin-2-yl]methanone

Systemtic Name: azepan-1-yl-[1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)pyrrolidin-2-yl]methanone Openeye Name: azepan-1-yl-[1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)pyrrolidin-2-yl]methanone CAS Name: 1-azepanyl-[1-(4-methyl-7-methylsulfonyl-2-quinazolinyl)-2-pyrrolidinyl]methanone IUPAC Name: azepan-1-yl-[1-(4-methyl-7-methylsulfonylquinazolin-2-yl)pyrrolidin-2-yl]methanone Traditional Name: azepan-1-yl-[1-(7-mesyl-4-methyl-quinazolin-2-yl)pyrrolidin-2-yl]methanone Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C=CC(=C2)S(=O)(=O)C)N3CCCC3C(=O)N4CCCCCC4

Isomeric SMILES

CC1=NC(=NC2=C1C=CC(=C2)S(=O)(=O)C)N3CCCC3C(=O)N4CCCCCC4

InChI

InChI=1S/C21H28N4O3S/c1-15-17-10-9-16(29(2,27)28)14-18(17)23-21(22-15)25-13-7-8-19(25)20(26)24-11-5-3-4-6-12-24/h9-10,14,19H,3-8,11-13H2,1-2H3