3,4-dihydro-1H-isoquinolin-2-yl-[1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidin-4-yl]methanone

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidin-4-yl]methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)-4-piperidyl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(4-methyl-7-methylsulfonyl-2-quinazolinyl)-4-piperidinyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidin-4-yl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(7-mesyl-4-methyl-quinazolin-2-yl)-4-piperidyl]methanone Formula: C25H28N4O3S MolecularWeight: 464.57982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C=CC(=C2)S(=O)(=O)C)N3CCC(CC3)C(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CC1=NC(=NC2=C1C=CC(=C2)S(=O)(=O)C)N3CCC(CC3)C(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C25H28N4O3S/c1-17-22-8-7-21(33(2,31)32)15-23(22)27-25(26-17)28-12-10-19(11-13-28)24(30)29-14-9-18-5-3-4-6-20(18)16-29/h3-8,15,19H,9-14,16H2,1-2H3