[4-[3-[(3-ethoxy-2-ethyl-phenyl)amino]propyl]piperazin-1-yl]-(6-nitronaphthalen-2-yl)methanone

Systemtic Name: [4-[3-[(3-ethoxy-2-ethyl-phenyl)amino]propyl]piperazin-1-yl]-(6-nitronaphthalen-2-yl)methanone Openeye Name: [4-[3-(3-ethoxy-2-ethyl-anilino)propyl]piperazin-1-yl]-(6-nitro-2-naphthyl)methanone CAS Name: [4-[3-(3-ethoxy-2-ethylanilino)propyl]-1-piperazinyl]-(6-nitro-2-naphthalenyl)methanone IUPAC Name: [4-[3-(3-ethoxy-2-ethylanilino)propyl]piperazin-1-yl]-(6-nitronaphthalen-2-yl)methanone Traditional Name: [4-[3-(3-ethoxy-2-ethyl-anilino)propyl]piperazino]-(6-nitro-2-naphthyl)methanone Formula: C28H34N4O4 MolecularWeight: 490.59396

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC=C1OCC)NCCCN2CCN(CC2)C(=O)C3=CC4=C(C=C3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=CC=C1OCC)NCCCN2CCN(CC2)C(=O)C3=CC4=C(C=C3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C28H34N4O4/c1-3-25-26(7-5-8-27(25)36-4-2)29-13-6-14-30-15-17-31(18-16-30)28(33)23-10-9-22-20-24(32(34)35)12-11-21(22)19-23/h5,7-12,19-20,29H,3-4,6,13-18H2,1-2H3