4-methyl-5-phenyl-N-[4-(7-pyrrolidin-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-pyrrolidin-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-pyrrolidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-1,2,4-triazole-3-carboxamide CAS Name: 4-methyl-5-phenyl-N-[4-[7-(1-pyrrolidinylsulfonyl)-3,4-dihydro-1H-isoquinolin-2-yl]butyl]-1,2,4-triazole-3-carboxamide IUPAC Name: 4-methyl-5-phenyl-N-[4-(7-pyrrolidin-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-pyrrolidinosulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-1,2,4-triazole-3-carboxamide Formula: C27H34N6O3S MolecularWeight: 522.66226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1C(=O)NCCCCN2CCC3=C(C2)C=C(C=C3)S(=O)(=O)N4CCCC4)C5=CC=CC=C5

Isomeric SMILES

CN1C(=NN=C1C(=O)NCCCCN2CCC3=C(C2)C=C(C=C3)S(=O)(=O)N4CCCC4)C5=CC=CC=C5

InChI

InChI=1S/C27H34N6O3S/c1-31-25(22-9-3-2-4-10-22)29-30-26(31)27(34)28-14-5-6-15-32-18-13-21-11-12-24(19-23(21)20-32)37(35,36)33-16-7-8-17-33/h2-4,9-12,19H,5-8,13-18,20H2,1H3,(H,28,34)