5-[(5-chloranylthiophen-2-yl)methylamino]-N-ethyl-1-(phenylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide

Systemtic Name: 5-[(5-chloranylthiophen-2-yl)methylamino]-N-ethyl-1-(phenylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide Openeye Name: 1-benzyl-5-[(5-chloro-2-thienyl)methylamino]-N-ethyl-4,5,6,7-tetrahydroindazole-3-carboxamide CAS Name: 5-[(5-chloro-2-thiophenyl)methylamino]-N-ethyl-1-(phenylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide IUPAC Name: 1-benzyl-5-[(5-chlorothiophen-2-yl)methylamino]-N-ethyl-4,5,6,7-tetrahydroindazole-3-carboxamide Traditional Name: 1-benzyl-5-[(5-chloro-2-thienyl)methylamino]-N-ethyl-4,5,6,7-tetrahydroindazole-3-carboxamide Formula: C22H25ClN4OS MolecularWeight: 428.9781

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=NN(C2=C1CC(CC2)NCC3=CC=C(S3)Cl)CC4=CC=CC=C4

Isomeric SMILES

CCNC(=O)C1=NN(C2=C1CC(CC2)NCC3=CC=C(S3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C22H25ClN4OS/c1-2-24-22(28)21-18-12-16(25-13-17-9-11-20(23)29-17)8-10-19(18)27(26-21)14-15-6-4-3-5-7-15/h3-7,9,11,16,25H,2,8,10,12-14H2,1H3,(H,24,28)