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

Systemtic Name: 4-[[1-[3-[3-(dimethylamino)propylamino]-2-oxidanyl-propyl]indol-3-yl]methylidene]-5-methyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[[1-[3-[3-(dimethylamino)propylamino]-2-hydroxy-propyl]indol-3-yl]methylene]-5-methyl-2-phenyl-pyrazol-3-one CAS Name: 4-[[1-[3-[3-(dimethylamino)propylamino]-2-hydroxypropyl]-3-indolyl]methylidene]-5-methyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[[1-[3-[3-(dimethylamino)propylamino]-2-hydroxypropyl]indol-3-yl]methylidene]-5-methyl-2-phenylpyrazol-3-one Traditional Name: 4-[[1-[3-[3-(dimethylamino)propylamino]-2-hydroxy-propyl]indol-3-yl]methylene]-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C27H33N5O2 MolecularWeight: 459.58322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33N5O2/c1-20-25(27(34)32(29-20)22-10-5-4-6-11-22)16-21-18-31(26-13-8-7-12-24(21)26)19-23(33)17-28-14-9-15-30(2)3/h4-8,10-13,16,18,23,28,33H,9,14-15,17,19H2,1-3H3