(E)-1-[4-[4-nitro-3-[(phenylmethyl)amino]phenyl]piperazin-1-yl]-3-phenyl-prop-2-en-1-one

Systemtic Name: (E)-1-[4-[4-nitro-3-[(phenylmethyl)amino]phenyl]piperazin-1-yl]-3-phenyl-prop-2-en-1-one Openeye Name: (E)-1-[4-[3-(benzylamino)-4-nitro-phenyl]piperazin-1-yl]-3-phenyl-prop-2-en-1-one CAS Name: (E)-1-[4-[4-nitro-3-[(phenylmethyl)amino]phenyl]-1-piperazinyl]-3-phenyl-2-propen-1-one IUPAC Name: (E)-1-[4-[3-(benzylamino)-4-nitrophenyl]piperazin-1-yl]-3-phenylprop-2-en-1-one Traditional Name: (E)-1-[4-[3-(benzylamino)-4-nitro-phenyl]piperazino]-3-phenyl-prop-2-en-1-one Formula: C26H26N4O3 MolecularWeight: 442.50964

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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)C=CC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C26H26N4O3/c31-26(14-11-21-7-3-1-4-8-21)29-17-15-28(16-18-29)23-12-13-25(30(32)33)24(19-23)27-20-22-9-5-2-6-10-22/h1-14,19,27H,15-18,20H2/b14-11+