3-[[4-[[4-(diphenylmethyl)piperazin-1-yl]methyl]-2-nitro-phenyl]amino]propan-1-ol

Systemtic Name: 3-[[4-[[4-(diphenylmethyl)piperazin-1-yl]methyl]-2-nitro-phenyl]amino]propan-1-ol Openeye Name: 3-[4-[(4-benzhydrylpiperazin-1-yl)methyl]-2-nitro-anilino]propan-1-ol CAS Name: 3-[4-[[4-(diphenylmethyl)-1-piperazinyl]methyl]-2-nitroanilino]-1-propanol IUPAC Name: 3-[4-[(4-benzhydrylpiperazin-1-yl)methyl]-2-nitroanilino]propan-1-ol Traditional Name: 3-[4-[(4-benzhydrylpiperazino)methyl]-2-nitro-anilino]propan-1-ol Formula: C27H32N4O3 MolecularWeight: 460.56798

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=C(C=C2)NCCCO)[N+](=O)[O-])C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CC2=CC(=C(C=C2)NCCCO)[N+](=O)[O-])C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H32N4O3/c32-19-7-14-28-25-13-12-22(20-26(25)31(33)34)21-29-15-17-30(18-16-29)27(23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1-6,8-13,20,27-28,32H,7,14-19,21H2