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

Systemtic Name: azepan-1-yl-[1-methyl-5-[(4-phenyl-1,3-thiazol-2-yl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]methanone Openeye Name: azepan-1-yl-[1-methyl-5-[(4-phenylthiazol-2-yl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]methanone CAS Name: 1-azepanyl-[1-methyl-5-[(4-phenyl-2-thiazolyl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]methanone IUPAC Name: azepan-1-yl-[1-methyl-5-[(4-phenyl-1,3-thiazol-2-yl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]methanone Traditional Name: azepan-1-yl-[1-methyl-5-[(4-phenylthiazol-2-yl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]methanone Formula: C25H31N5OS MolecularWeight: 449.61154

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CC(CC2)NCC3=NC(=CS3)C4=CC=CC=C4)C(=N1)C(=O)N5CCCCCC5

Isomeric SMILES

CN1C2=C(CC(CC2)NCC3=NC(=CS3)C4=CC=CC=C4)C(=N1)C(=O)N5CCCCCC5

InChI

InChI=1S/C25H31N5OS/c1-29-22-12-11-19(26-16-23-27-21(17-32-23)18-9-5-4-6-10-18)15-20(22)24(28-29)25(31)30-13-7-2-3-8-14-30/h4-6,9-10,17,19,26H,2-3,7-8,11-16H2,1H3