N-[(6-chloranyl-3-methyl-1-phenyl-pyrazolo[3,4-b]pyridin-5-yl)methyl]butan-1-amine

Systemtic Name: N-[(6-chloranyl-3-methyl-1-phenyl-pyrazolo[3,4-b]pyridin-5-yl)methyl]butan-1-amine Openeye Name: N-[(6-chloro-3-methyl-1-phenyl-pyrazolo[3,4-b]pyridin-5-yl)methyl]butan-1-amine CAS Name: N-[(6-chloro-3-methyl-1-phenyl-5-pyrazolo[3,4-b]pyridinyl)methyl]-1-butanamine IUPAC Name: N-[(6-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridin-5-yl)methyl]butan-1-amine Traditional Name: butyl-[(6-chloro-3-methyl-1-phenyl-pyrazolo[3,4-b]pyridin-5-yl)methyl]amine Formula: C18H21ClN4 MolecularWeight: 328.83914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCC1=C(N=C2C(=C1)C(=NN2C3=CC=CC=C3)C)Cl

Isomeric SMILES

CCCCNCC1=C(N=C2C(=C1)C(=NN2C3=CC=CC=C3)C)Cl

InChI

InChI=1S/C18H21ClN4/c1-3-4-10-20-12-14-11-16-13(2)22-23(18(16)21-17(14)19)15-8-6-5-7-9-15/h5-9,11,20H,3-4,10,12H2,1-2H3