N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidin-4-amine

Systemtic Name: N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidin-4-amine Openeye Name: N-(isochroman-1-ylmethyl)-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidin-4-amine CAS Name: N-(3,4-dihydro-1H-2-benzopyran-1-ylmethyl)-1-(4-methyl-7-methylsulfonyl-2-quinazolinyl)-4-piperidinamine IUPAC Name: N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidin-4-amine Traditional Name: isochroman-1-ylmethyl-[1-(7-mesyl-4-methyl-quinazolin-2-yl)-4-piperidyl]amine Formula: C25H30N4O3S MolecularWeight: 466.5957

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C=CC(=C2)S(=O)(=O)C)N3CCC(CC3)NCC4C5=CC=CC=C5CCO4

Isomeric SMILES

CC1=NC(=NC2=C1C=CC(=C2)S(=O)(=O)C)N3CCC(CC3)NCC4C5=CC=CC=C5CCO4

InChI

InChI=1S/C25H30N4O3S/c1-17-21-8-7-20(33(2,30)31)15-23(21)28-25(27-17)29-12-9-19(10-13-29)26-16-24-22-6-4-3-5-18(22)11-14-32-24/h3-8,15,19,24,26H,9-14,16H2,1-2H3