naphthalen-1-yl-[4-[4-nitro-3-[(phenylmethyl)amino]phenyl]piperazin-1-yl]methanone

Systemtic Name: naphthalen-1-yl-[4-[4-nitro-3-[(phenylmethyl)amino]phenyl]piperazin-1-yl]methanone Openeye Name: [4-[3-(benzylamino)-4-nitro-phenyl]piperazin-1-yl]-(1-naphthyl)methanone CAS Name: 1-naphthalenyl-[4-[4-nitro-3-[(phenylmethyl)amino]phenyl]-1-piperazinyl]methanone IUPAC Name: [4-[3-(benzylamino)-4-nitrophenyl]piperazin-1-yl]-naphthalen-1-ylmethanone Traditional Name: [4-[3-(benzylamino)-4-nitro-phenyl]piperazino]-(1-naphthyl)methanone Formula: C28H26N4O3 MolecularWeight: 466.53104

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CC=C3)C(=O)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CC=C3)C(=O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C28H26N4O3/c33-28(25-12-6-10-22-9-4-5-11-24(22)25)31-17-15-30(16-18-31)23-13-14-27(32(34)35)26(19-23)29-20-21-7-2-1-3-8-21/h1-14,19,29H,15-18,20H2