1-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)-4-(7-piperidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one

Systemtic Name: 1-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)-4-(7-piperidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one Openeye Name: 1-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)-4-[7-(1-piperidylsulfonyl)-3,4-dihydro-1H-isoquinolin-2-yl]butan-1-one CAS Name: 1-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)-4-[7-(1-piperidinylsulfonyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1-butanone IUPAC Name: 1-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)-4-(7-piperidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one Traditional Name: 1-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)-4-(7-piperidinosulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one Formula: C27H33N5O3S MolecularWeight: 507.64762

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1C(=O)CCCN2CCC3=C(C2)C=C(C=C3)S(=O)(=O)N4CCCCC4)C5=CC=CC=C5

Isomeric SMILES

CN1C(=NN=C1C(=O)CCCN2CCC3=C(C2)C=C(C=C3)S(=O)(=O)N4CCCCC4)C5=CC=CC=C5

InChI

InChI=1S/C27H33N5O3S/c1-30-26(22-9-4-2-5-10-22)28-29-27(30)25(33)11-8-15-31-18-14-21-12-13-24(19-23(21)20-31)36(34,35)32-16-6-3-7-17-32/h2,4-5,9-10,12-13,19H,3,6-8,11,14-18,20H2,1H3