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

Systemtic Name: 1-[[4-[4-nitro-3-[(phenylmethyl)amino]phenyl]piperazin-1-yl]methyl]naphthalen-2-ol Openeye Name: 1-[[4-[3-(benzylamino)-4-nitro-phenyl]piperazin-1-yl]methyl]naphthalen-2-ol CAS Name: 1-[[4-[4-nitro-3-[(phenylmethyl)amino]phenyl]-1-piperazinyl]methyl]-2-naphthalenol IUPAC Name: 1-[[4-[3-(benzylamino)-4-nitrophenyl]piperazin-1-yl]methyl]naphthalen-2-ol Traditional Name: 1-[[4-[3-(benzylamino)-4-nitro-phenyl]piperazino]methyl]-2-naphthol Formula: C28H28N4O3 MolecularWeight: 468.54692

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C(C=CC3=CC=CC=C32)O)C4=CC(=C(C=C4)[N+](=O)[O-])NCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=C(C=CC3=CC=CC=C32)O)C4=CC(=C(C=C4)[N+](=O)[O-])NCC5=CC=CC=C5

InChI

InChI=1S/C28H28N4O3/c33-28-13-10-22-8-4-5-9-24(22)25(28)20-30-14-16-31(17-15-30)23-11-12-27(32(34)35)26(18-23)29-19-21-6-2-1-3-7-21/h1-13,18,29,33H,14-17,19-20H2