(2-methoxy-3-methyl-phenyl)-[4-[4-nitro-3-(pyridin-3-ylmethylamino)phenyl]piperazin-1-yl]methanone

Systemtic Name: (2-methoxy-3-methyl-phenyl)-[4-[4-nitro-3-(pyridin-3-ylmethylamino)phenyl]piperazin-1-yl]methanone Openeye Name: (2-methoxy-3-methyl-phenyl)-[4-[4-nitro-3-(3-pyridylmethylamino)phenyl]piperazin-1-yl]methanone CAS Name: (2-methoxy-3-methylphenyl)-[4-[4-nitro-3-(3-pyridinylmethylamino)phenyl]-1-piperazinyl]methanone IUPAC Name: (2-methoxy-3-methylphenyl)-[4-[4-nitro-3-(pyridin-3-ylmethylamino)phenyl]piperazin-1-yl]methanone Traditional Name: (2-methoxy-3-methyl-phenyl)-[4-[4-nitro-3-(3-pyridylmethylamino)phenyl]piperazino]methanone Formula: C25H27N5O4 MolecularWeight: 461.51298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1OC)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC4=CN=CC=C4

Isomeric SMILES

CC1=CC=CC(=C1OC)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC4=CN=CC=C4

InChI

InChI=1S/C25H27N5O4/c1-18-5-3-7-21(24(18)34-2)25(31)29-13-11-28(12-14-29)20-8-9-23(30(32)33)22(15-20)27-17-19-6-4-10-26-16-19/h3-10,15-16,27H,11-14,17H2,1-2H3