N-ethyl-5-(2-methylpropylamino)-1-(phenylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide

Systemtic Name: N-ethyl-5-(2-methylpropylamino)-1-(phenylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide Openeye Name: 1-benzyl-N-ethyl-5-(isobutylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide CAS Name: N-ethyl-5-(2-methylpropylamino)-1-(phenylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide IUPAC Name: 1-benzyl-N-ethyl-5-(2-methylpropylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide Traditional Name: 1-benzyl-N-ethyl-5-(isobutylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide Formula: C21H30N4O MolecularWeight: 354.4891

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=NN(C2=C1CC(CC2)NCC(C)C)CC3=CC=CC=C3

Isomeric SMILES

CCNC(=O)C1=NN(C2=C1CC(CC2)NCC(C)C)CC3=CC=CC=C3

InChI

InChI=1S/C21H30N4O/c1-4-22-21(26)20-18-12-17(23-13-15(2)3)10-11-19(18)25(24-20)14-16-8-6-5-7-9-16/h5-9,15,17,23H,4,10-14H2,1-3H3,(H,22,26)