2-[4-(diphenylmethyl)piperazin-1-yl]-1-[3-nitro-4-(propylamino)phenyl]ethanol

Systemtic Name: 2-[4-(diphenylmethyl)piperazin-1-yl]-1-[3-nitro-4-(propylamino)phenyl]ethanol Openeye Name: 2-(4-benzhydrylpiperazin-1-yl)-1-[3-nitro-4-(propylamino)phenyl]ethanol CAS Name: 2-[4-(diphenylmethyl)-1-piperazinyl]-1-[3-nitro-4-(propylamino)phenyl]ethanol IUPAC Name: 2-(4-benzhydrylpiperazin-1-yl)-1-[3-nitro-4-(propylamino)phenyl]ethanol Traditional Name: 2-(4-benzhydrylpiperazino)-1-[3-nitro-4-(propylamino)phenyl]ethanol Formula: C28H34N4O3 MolecularWeight: 474.59456

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C(C=C(C=C1)C(CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)O)[N+](=O)[O-]

Isomeric SMILES

CCCNC1=C(C=C(C=C1)C(CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)O)[N+](=O)[O-]

InChI

InChI=1S/C28H34N4O3/c1-2-15-29-25-14-13-24(20-26(25)32(34)35)27(33)21-30-16-18-31(19-17-30)28(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-14,20,27-29,33H,2,15-19,21H2,1H3