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

Systemtic Name: (3,4-dimethoxyphenyl)-[4-[4-nitro-3-[(phenylmethyl)amino]phenyl]piperazin-1-yl]methanone Openeye Name: [4-[3-(benzylamino)-4-nitro-phenyl]piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone CAS Name: (3,4-dimethoxyphenyl)-[4-[4-nitro-3-[(phenylmethyl)amino]phenyl]-1-piperazinyl]methanone IUPAC Name: [4-[3-(benzylamino)-4-nitrophenyl]piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone Traditional Name: [4-[3-(benzylamino)-4-nitro-phenyl]piperazino]-(3,4-dimethoxyphenyl)methanone Formula: C26H28N4O5 MolecularWeight: 476.52432

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC4=CC=CC=C4)OC

InChI

InChI=1S/C26H28N4O5/c1-34-24-11-8-20(16-25(24)35-2)26(31)29-14-12-28(13-15-29)21-9-10-23(30(32)33)22(17-21)27-18-19-6-4-3-5-7-19/h3-11,16-17,27H,12-15,18H2,1-2H3