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

Systemtic Name: 1-(7-chloranyl-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl)-4-(phenylmethyl)piperazine Openeye Name: 1-benzyl-4-(7-chloro-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl)piperazine CAS Name: 1-(7-chloro-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl)-4-(phenylmethyl)piperazine IUPAC Name: 1-benzyl-4-(7-chloro-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl)piperazine Traditional Name: 1-benzyl-4-(7-chloro-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl)piperazine Formula: C24H26ClN3O3 MolecularWeight: 439.93454

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C(=CC3=CC(=CC(=C3O2)[N+](=O)[O-])Cl)C1)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

C1CCC2(C(=CC3=CC(=CC(=C3O2)[N+](=O)[O-])Cl)C1)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C24H26ClN3O3/c25-21-15-19-14-20-8-4-5-9-24(20,31-23(19)22(16-21)28(29)30)27-12-10-26(11-13-27)17-18-6-2-1-3-7-18/h1-3,6-7,14-16H,4-5,8-13,17H2