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

Systemtic Name: azepan-1-yl-[5-[(5-chloranylthiophen-2-yl)methylamino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]methanone Openeye Name: azepan-1-yl-[5-[(5-chloro-2-thienyl)methylamino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]methanone CAS Name: 1-azepanyl-[5-[(5-chloro-2-thiophenyl)methylamino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]methanone IUPAC Name: azepan-1-yl-[5-[(5-chlorothiophen-2-yl)methylamino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]methanone Traditional Name: azepan-1-yl-[5-[(5-chloro-2-thienyl)methylamino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]methanone Formula: C20H27ClN4OS MolecularWeight: 406.97258

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CC(CC2)NCC3=CC=C(S3)Cl)C(=N1)C(=O)N4CCCCCC4

Isomeric SMILES

CN1C2=C(CC(CC2)NCC3=CC=C(S3)Cl)C(=N1)C(=O)N4CCCCCC4

InChI

InChI=1S/C20H27ClN4OS/c1-24-17-8-6-14(22-13-15-7-9-18(21)27-15)12-16(17)19(23-24)20(26)25-10-4-2-3-5-11-25/h7,9,14,22H,2-6,8,10-13H2,1H3