4-methyl-5-phenyl-N-[4-(7-piperidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-1,2,4-triazole-3-carboxamide

Systemtic Name: 4-methyl-5-phenyl-N-[4-(7-piperidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-1,2,4-triazole-3-carboxamide Openeye Name: 4-methyl-5-phenyl-N-[4-[7-(1-piperidylsulfonyl)-3,4-dihydro-1H-isoquinolin-2-yl]butyl]-1,2,4-triazole-3-carboxamide CAS Name: 4-methyl-5-phenyl-N-[4-[7-(1-piperidinylsulfonyl)-3,4-dihydro-1H-isoquinolin-2-yl]butyl]-1,2,4-triazole-3-carboxamide IUPAC Name: 4-methyl-5-phenyl-N-[4-(7-piperidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-1,2,4-triazole-3-carboxamide Traditional Name: 4-methyl-5-phenyl-N-[4-(7-piperidinosulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-1,2,4-triazole-3-carboxamide Formula: C28H36N6O3S MolecularWeight: 536.68884

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1C(=O)NCCCCN2CCC3=C(C2)C=C(C=C3)S(=O)(=O)N4CCCCC4)C5=CC=CC=C5

Isomeric SMILES

CN1C(=NN=C1C(=O)NCCCCN2CCC3=C(C2)C=C(C=C3)S(=O)(=O)N4CCCCC4)C5=CC=CC=C5

InChI

InChI=1S/C28H36N6O3S/c1-32-26(23-10-4-2-5-11-23)30-31-27(32)28(35)29-15-6-9-16-33-19-14-22-12-13-25(20-24(22)21-33)38(36,37)34-17-7-3-8-18-34/h2,4-5,10-13,20H,3,6-9,14-19,21H2,1H3,(H,29,35)