[4-(4-nitro-2-pyrrol-1-yl-phenyl)piperazin-1-yl]-(4-propylphenyl)methanone

Systemtic Name: [4-(4-nitro-2-pyrrol-1-yl-phenyl)piperazin-1-yl]-(4-propylphenyl)methanone Openeye Name: [4-(4-nitro-2-pyrrol-1-yl-phenyl)piperazin-1-yl]-(4-propylphenyl)methanone CAS Name: [4-[4-nitro-2-(1-pyrrolyl)phenyl]-1-piperazinyl]-(4-propylphenyl)methanone IUPAC Name: [4-(4-nitro-2-pyrrol-1-ylphenyl)piperazin-1-yl]-(4-propylphenyl)methanone Traditional Name: [4-(4-nitro-2-pyrrol-1-yl-phenyl)piperazino]-(4-propylphenyl)methanone Formula: C24H26N4O3 MolecularWeight: 418.48824

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])N4C=CC=C4

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])N4C=CC=C4

InChI

InChI=1S/C24H26N4O3/c1-2-5-19-6-8-20(9-7-19)24(29)27-16-14-26(15-17-27)22-11-10-21(28(30)31)18-23(22)25-12-3-4-13-25/h3-4,6-13,18H,2,5,14-17H2,1H3