azepan-1-yl-[1-methyl-5-(2-thiophen-2-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone

Systemtic Name: azepan-1-yl-[1-methyl-5-(2-thiophen-2-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone Openeye Name: azepan-1-yl-[1-methyl-5-[2-(2-thienyl)ethylamino]-4,5,6,7-tetrahydroindazol-3-yl]methanone CAS Name: 1-azepanyl-[1-methyl-5-(2-thiophen-2-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone IUPAC Name: azepan-1-yl-[1-methyl-5-(2-thiophen-2-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone Traditional Name: azepan-1-yl-[1-methyl-5-[2-(2-thienyl)ethylamino]-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)NCCC3=CC=CS3)C(=N1)C(=O)N4CCCCCC4

Isomeric SMILES

CN1C2=C(CC(CC2)NCCC3=CC=CS3)C(=N1)C(=O)N4CCCCCC4

InChI

InChI=1S/C21H30N4OS/c1-24-19-9-8-16(22-11-10-17-7-6-14-27-17)15-18(19)20(23-24)21(26)25-12-4-2-3-5-13-25/h6-7,14,16,22H,2-5,8-13,15H2,1H3