N-[[1-[(2-methyl-5-phenyl-1,3-thiazol-4-yl)carbonyl]piperidin-2-yl]methyl]isoquinoline-1-carboxamide

Systemtic Name: N-[[1-[(2-methyl-5-phenyl-1,3-thiazol-4-yl)carbonyl]piperidin-2-yl]methyl]isoquinoline-1-carboxamide Openeye Name: N-[[1-(2-methyl-5-phenyl-thiazole-4-carbonyl)-2-piperidyl]methyl]isoquinoline-1-carboxamide CAS Name: N-[[1-[(2-methyl-5-phenyl-4-thiazolyl)-oxomethyl]-2-piperidinyl]methyl]-1-isoquinolinecarboxamide IUPAC Name: N-[[1-(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)piperidin-2-yl]methyl]isoquinoline-1-carboxamide Traditional Name: N-[[1-(2-methyl-5-phenyl-thiazole-4-carbonyl)-2-piperidyl]methyl]isoquinoline-1-carboxamide Formula: C27H26N4O2S MolecularWeight: 470.58594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(S1)C2=CC=CC=C2)C(=O)N3CCCCC3CNC(=O)C4=NC=CC5=CC=CC=C54

Isomeric SMILES

CC1=NC(=C(S1)C2=CC=CC=C2)C(=O)N3CCCCC3CNC(=O)C4=NC=CC5=CC=CC=C54

InChI

InChI=1S/C27H26N4O2S/c1-18-30-24(25(34-18)20-10-3-2-4-11-20)27(33)31-16-8-7-12-21(31)17-29-26(32)23-22-13-6-5-9-19(22)14-15-28-23/h2-6,9-11,13-15,21H,7-8,12,16-17H2,1H3,(H,29,32)