azepan-1-yl-[1-ethyl-5-[(4-phenyloxan-4-yl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]methanone

Systemtic Name: azepan-1-yl-[1-ethyl-5-[(4-phenyloxan-4-yl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]methanone Openeye Name: azepan-1-yl-[1-ethyl-5-[(4-phenyltetrahydropyran-4-yl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]methanone CAS Name: 1-azepanyl-[1-ethyl-5-[(4-phenyl-4-oxanyl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]methanone IUPAC Name: azepan-1-yl-[1-ethyl-5-[(4-phenyloxan-4-yl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]methanone Traditional Name: azepan-1-yl-[1-ethyl-5-[(4-phenyltetrahydropyran-4-yl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]methanone Formula: C28H40N4O2 MolecularWeight: 464.6428

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(CC(CC2)NCC3(CCOCC3)C4=CC=CC=C4)C(=N1)C(=O)N5CCCCCC5

Isomeric SMILES

CCN1C2=C(CC(CC2)NCC3(CCOCC3)C4=CC=CC=C4)C(=N1)C(=O)N5CCCCCC5

InChI

InChI=1S/C28H40N4O2/c1-2-32-25-13-12-23(20-24(25)26(30-32)27(33)31-16-8-3-4-9-17-31)29-21-28(14-18-34-19-15-28)22-10-6-5-7-11-22/h5-7,10-11,23,29H,2-4,8-9,12-21H2,1H3