4-[[5-chloranyl-7-(oxan-4-ylmethylamino)-2-phenyl-1H-indol-3-yl]methyl]piperazin-2-one

Systemtic Name: 4-[[5-chloranyl-7-(oxan-4-ylmethylamino)-2-phenyl-1H-indol-3-yl]methyl]piperazin-2-one Openeye Name: 4-[[5-chloro-2-phenyl-7-(tetrahydropyran-4-ylmethylamino)-1H-indol-3-yl]methyl]piperazin-2-one CAS Name: 4-[[5-chloro-7-(4-oxanylmethylamino)-2-phenyl-1H-indol-3-yl]methyl]-2-piperazinone IUPAC Name: 4-[[5-chloro-7-(oxan-4-ylmethylamino)-2-phenyl-1H-indol-3-yl]methyl]piperazin-2-one Traditional Name: 4-[[5-chloro-2-phenyl-7-(tetrahydropyran-4-ylmethylamino)-1H-indol-3-yl]methyl]piperazin-2-one Formula: C25H29ClN4O2 MolecularWeight: 452.97636

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1CNC2=C3C(=CC(=C2)Cl)C(=C(N3)C4=CC=CC=C4)CN5CCNC(=O)C5

Isomeric SMILES

C1COCCC1CNC2=C3C(=CC(=C2)Cl)C(=C(N3)C4=CC=CC=C4)CN5CCNC(=O)C5

InChI

InChI=1S/C25H29ClN4O2/c26-19-12-20-21(15-30-9-8-27-23(31)16-30)24(18-4-2-1-3-5-18)29-25(20)22(13-19)28-14-17-6-10-32-11-7-17/h1-5,12-13,17,28-29H,6-11,14-16H2,(H,27,31)