3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide

Systemtic Name: 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide Openeye Name: 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide CAS Name: 3-(2,4-dimethyl-3-pyrimido[1,2-b]indazolyl)-N-[[4-(1-pyrrolidinylmethyl)phenyl]methyl]propanamide IUPAC Name: 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide Traditional Name: 3-(2,4-dimethylpyrimid[1,2-b]indazol-3-yl)-N-[4-(pyrrolidinomethyl)benzyl]propionamide Formula: C27H31N5O MolecularWeight: 441.56794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=C3C=CC=CC3=NN12)C)CCC(=O)NCC4=CC=C(C=C4)CN5CCCC5

Isomeric SMILES

CC1=C(C(=NC2=C3C=CC=CC3=NN12)C)CCC(=O)NCC4=CC=C(C=C4)CN5CCCC5

InChI

InChI=1S/C27H31N5O/c1-19-23(20(2)32-27(29-19)24-7-3-4-8-25(24)30-32)13-14-26(33)28-17-21-9-11-22(12-10-21)18-31-15-5-6-16-31/h3-4,7-12H,5-6,13-18H2,1-2H3,(H,28,33)