1-(7-chloranyl-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl)-4-(phenylmethyl)piperidine

Systemtic Name: 1-(7-chloranyl-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl)-4-(phenylmethyl)piperidine Openeye Name: 4-benzyl-1-(7-chloro-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl)piperidine CAS Name: 1-(7-chloro-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl)-4-(phenylmethyl)piperidine IUPAC Name: 4-benzyl-1-(7-chloro-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl)piperidine Traditional Name: 4-benzyl-1-(7-chloro-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl)piperidine Formula: C25H27ClN2O3 MolecularWeight: 438.94648

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C(=CC3=CC(=CC(=C3O2)[N+](=O)[O-])Cl)C1)N4CCC(CC4)CC5=CC=CC=C5

Isomeric SMILES

C1CCC2(C(=CC3=CC(=CC(=C3O2)[N+](=O)[O-])Cl)C1)N4CCC(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C25H27ClN2O3/c26-22-16-20-15-21-8-4-5-11-25(21,31-24(20)23(17-22)28(29)30)27-12-9-19(10-13-27)14-18-6-2-1-3-7-18/h1-3,6-7,15-17,19H,4-5,8-14H2