(4-butoxyphenyl)-[4-[4-nitro-3-(pyridin-3-ylmethylamino)phenyl]piperazin-1-yl]methanone

Systemtic Name: (4-butoxyphenyl)-[4-[4-nitro-3-(pyridin-3-ylmethylamino)phenyl]piperazin-1-yl]methanone Openeye Name: (4-butoxyphenyl)-[4-[4-nitro-3-(3-pyridylmethylamino)phenyl]piperazin-1-yl]methanone CAS Name: (4-butoxyphenyl)-[4-[4-nitro-3-(3-pyridinylmethylamino)phenyl]-1-piperazinyl]methanone IUPAC Name: (4-butoxyphenyl)-[4-[4-nitro-3-(pyridin-3-ylmethylamino)phenyl]piperazin-1-yl]methanone Traditional Name: (4-butoxyphenyl)-[4-[4-nitro-3-(3-pyridylmethylamino)phenyl]piperazino]methanone Formula: C27H31N5O4 MolecularWeight: 489.56614

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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=CN=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C27H31N5O4/c1-2-3-17-36-24-9-6-22(7-10-24)27(33)31-15-13-30(14-16-31)23-8-11-26(32(34)35)25(18-23)29-20-21-5-4-12-28-19-21/h4-12,18-19,29H,2-3,13-17,20H2,1H3