4-[[1-[3-(3-imidazol-1-ylpropylamino)-2-oxidanyl-propyl]indol-3-yl]methylidene]-5-methyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[[1-[3-(3-imidazol-1-ylpropylamino)-2-oxidanyl-propyl]indol-3-yl]methylidene]-5-methyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[[1-[2-hydroxy-3-(3-imidazol-1-ylpropylamino)propyl]indol-3-yl]methylene]-5-methyl-2-phenyl-pyrazol-3-one CAS Name: 4-[[1-[2-hydroxy-3-[3-(1-imidazolyl)propylamino]propyl]-3-indolyl]methylidene]-5-methyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[[1-[2-hydroxy-3-(3-imidazol-1-ylpropylamino)propyl]indol-3-yl]methylidene]-5-methyl-2-phenylpyrazol-3-one Traditional Name: 4-[[1-[2-hydroxy-3-(3-imidazol-1-ylpropylamino)propyl]indol-3-yl]methylene]-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C28H30N6O2 MolecularWeight: 482.5768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CN(C3=CC=CC=C32)CC(CNCCCN4C=CN=C4)O)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=O)C1=CC2=CN(C3=CC=CC=C32)CC(CNCCCN4C=CN=C4)O)C5=CC=CC=C5

InChI

InChI=1S/C28H30N6O2/c1-21-26(28(36)34(31-21)23-8-3-2-4-9-23)16-22-18-33(27-11-6-5-10-25(22)27)19-24(35)17-29-12-7-14-32-15-13-30-20-32/h2-6,8-11,13,15-16,18,20,24,29,35H,7,12,14,17,19H2,1H3