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

Systemtic Name: (4-butoxyphenyl)-[4-[4-nitro-3-[(phenylmethyl)amino]phenyl]piperazin-1-yl]methanone Openeye Name: [4-[3-(benzylamino)-4-nitro-phenyl]piperazin-1-yl]-(4-butoxyphenyl)methanone CAS Name: (4-butoxyphenyl)-[4-[4-nitro-3-[(phenylmethyl)amino]phenyl]-1-piperazinyl]methanone IUPAC Name: [4-[3-(benzylamino)-4-nitrophenyl]piperazin-1-yl]-(4-butoxyphenyl)methanone Traditional Name: [4-[3-(benzylamino)-4-nitro-phenyl]piperazino]-(4-butoxyphenyl)methanone Formula: C28H32N4O4 MolecularWeight: 488.57808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC4=CC=CC=C4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC4=CC=CC=C4

InChI

InChI=1S/C28H32N4O4/c1-2-3-19-36-25-12-9-23(10-13-25)28(33)31-17-15-30(16-18-31)24-11-14-27(32(34)35)26(20-24)29-21-22-7-5-4-6-8-22/h4-14,20,29H,2-3,15-19,21H2,1H3