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

Systemtic Name: [4-[4-nitro-3-(pyridin-3-ylmethylamino)phenyl]piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone Openeye Name: (4-isopropoxyphenyl)-[4-[4-nitro-3-(3-pyridylmethylamino)phenyl]piperazin-1-yl]methanone CAS Name: [4-[4-nitro-3-(3-pyridinylmethylamino)phenyl]-1-piperazinyl]-(4-propan-2-yloxyphenyl)methanone IUPAC Name: [4-[4-nitro-3-(pyridin-3-ylmethylamino)phenyl]piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone Traditional Name: (4-isopropoxyphenyl)-[4-[4-nitro-3-(3-pyridylmethylamino)phenyl]piperazino]methanone Formula: C26H29N5O4 MolecularWeight: 475.53956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC4=CN=CC=C4

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC4=CN=CC=C4

InChI

InChI=1S/C26H29N5O4/c1-19(2)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(16-22)28-18-20-4-3-11-27-17-20/h3-11,16-17,19,28H,12-15,18H2,1-2H3