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

Systemtic Name: azepan-1-yl-[1-methyl-5-[methyl(thiophen-3-ylmethyl)amino]-4,5,6,7-tetrahydroindazol-3-yl]methanone Openeye Name: azepan-1-yl-[1-methyl-5-[methyl(3-thienylmethyl)amino]-4,5,6,7-tetrahydroindazol-3-yl]methanone CAS Name: 1-azepanyl-[1-methyl-5-[methyl(3-thiophenylmethyl)amino]-4,5,6,7-tetrahydroindazol-3-yl]methanone IUPAC Name: azepan-1-yl-[1-methyl-5-[methyl(thiophen-3-ylmethyl)amino]-4,5,6,7-tetrahydroindazol-3-yl]methanone Traditional Name: azepan-1-yl-[1-methyl-5-[methyl(3-thenyl)amino]-4,5,6,7-tetrahydroindazol-3-yl]methanone Formula: C21H30N4OS MolecularWeight: 386.5541

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CC(CC2)N(C)CC3=CSC=C3)C(=N1)C(=O)N4CCCCCC4

Isomeric SMILES

CN1C2=C(CC(CC2)N(C)CC3=CSC=C3)C(=N1)C(=O)N4CCCCCC4

InChI

InChI=1S/C21H30N4OS/c1-23(14-16-9-12-27-15-16)17-7-8-19-18(13-17)20(22-24(19)2)21(26)25-10-5-3-4-6-11-25/h9,12,15,17H,3-8,10-11,13-14H2,1-2H3