azepan-1-yl-[1-ethyl-5-[2-(2-methoxyphenyl)ethylamino]-4,5,6,7-tetrahydroindazol-3-yl]methanone

Systemtic Name: azepan-1-yl-[1-ethyl-5-[2-(2-methoxyphenyl)ethylamino]-4,5,6,7-tetrahydroindazol-3-yl]methanone Openeye Name: azepan-1-yl-[1-ethyl-5-[2-(2-methoxyphenyl)ethylamino]-4,5,6,7-tetrahydroindazol-3-yl]methanone CAS Name: 1-azepanyl-[1-ethyl-5-[2-(2-methoxyphenyl)ethylamino]-4,5,6,7-tetrahydroindazol-3-yl]methanone IUPAC Name: azepan-1-yl-[1-ethyl-5-[2-(2-methoxyphenyl)ethylamino]-4,5,6,7-tetrahydroindazol-3-yl]methanone Traditional Name: azepan-1-yl-[1-ethyl-5-[2-(2-methoxyphenyl)ethylamino]-4,5,6,7-tetrahydroindazol-3-yl]methanone Formula: C25H36N4O2 MolecularWeight: 424.57894

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(CC(CC2)NCCC3=CC=CC=C3OC)C(=N1)C(=O)N4CCCCCC4

Isomeric SMILES

CCN1C2=C(CC(CC2)NCCC3=CC=CC=C3OC)C(=N1)C(=O)N4CCCCCC4

InChI

InChI=1S/C25H36N4O2/c1-3-29-22-13-12-20(26-15-14-19-10-6-7-11-23(19)31-2)18-21(22)24(27-29)25(30)28-16-8-4-5-9-17-28/h6-7,10-11,20,26H,3-5,8-9,12-18H2,1-2H3