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

Systemtic Name: 1-(7-chloranyl-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl)-4-(diphenylmethyl)piperazine Openeye Name: 1-benzhydryl-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-(diphenylmethyl)piperazine IUPAC Name: 1-benzhydryl-4-(7-chloro-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl)piperazine Traditional Name: 1-benzhydryl-4-(7-chloro-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl)piperazine Formula: C30H30ClN3O3 MolecularWeight: 516.0305

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C(=CC3=CC(=CC(=C3O2)[N+](=O)[O-])Cl)C1)N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CCC2(C(=CC3=CC(=CC(=C3O2)[N+](=O)[O-])Cl)C1)N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C30H30ClN3O3/c31-26-20-24-19-25-13-7-8-14-30(25,37-29(24)27(21-26)34(35)36)33-17-15-32(16-18-33)28(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-6,9-12,19-21,28H,7-8,13-18H2