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

Systemtic Name: [4-[4-nitro-3-(pyridin-3-ylmethylamino)phenyl]piperazin-1-yl]-(4-propoxyphenyl)methanone Openeye Name: [4-[4-nitro-3-(3-pyridylmethylamino)phenyl]piperazin-1-yl]-(4-propoxyphenyl)methanone CAS Name: [4-[4-nitro-3-(3-pyridinylmethylamino)phenyl]-1-piperazinyl]-(4-propoxyphenyl)methanone IUPAC Name: [4-[4-nitro-3-(pyridin-3-ylmethylamino)phenyl]piperazin-1-yl]-(4-propoxyphenyl)methanone Traditional Name: [4-[4-nitro-3-(3-pyridylmethylamino)phenyl]piperazino]-(4-propoxyphenyl)methanone Formula: C26H29N5O4 MolecularWeight: 475.53956

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC4=CN=CC=C4

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC4=CN=CC=C4

InChI

InChI=1S/C26H29N5O4/c1-2-16-35-23-8-5-21(6-9-23)26(32)30-14-12-29(13-15-30)22-7-10-25(31(33)34)24(17-22)28-19-20-4-3-11-27-18-20/h3-11,17-18,28H,2,12-16,19H2,1H3