azepan-1-yl-[1-ethyl-5-[methyl(thiophen-3-ylmethyl)amino]-4,5,6,7-tetrahydroindazol-3-yl]methanone

Systemtic Name: azepan-1-yl-[1-ethyl-5-[methyl(thiophen-3-ylmethyl)amino]-4,5,6,7-tetrahydroindazol-3-yl]methanone Openeye Name: azepan-1-yl-[1-ethyl-5-[methyl(3-thienylmethyl)amino]-4,5,6,7-tetrahydroindazol-3-yl]methanone CAS Name: 1-azepanyl-[1-ethyl-5-[methyl(3-thiophenylmethyl)amino]-4,5,6,7-tetrahydroindazol-3-yl]methanone IUPAC Name: azepan-1-yl-[1-ethyl-5-[methyl(thiophen-3-ylmethyl)amino]-4,5,6,7-tetrahydroindazol-3-yl]methanone Traditional Name: azepan-1-yl-[1-ethyl-5-[methyl(3-thenyl)amino]-4,5,6,7-tetrahydroindazol-3-yl]methanone Formula: C22H32N4OS MolecularWeight: 400.58068

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(CC(CC2)N(C)CC3=CSC=C3)C(=N1)C(=O)N4CCCCCC4

Isomeric SMILES

CCN1C2=C(CC(CC2)N(C)CC3=CSC=C3)C(=N1)C(=O)N4CCCCCC4

InChI

InChI=1S/C22H32N4OS/c1-3-26-20-9-8-18(24(2)15-17-10-13-28-16-17)14-19(20)21(23-26)22(27)25-11-6-4-5-7-12-25/h10,13,16,18H,3-9,11-12,14-15H2,1-2H3