azepan-1-yl-[1,3-dimethyl-4-[(phenylmethyl)amino]pyrazolo[3,4-b]pyridin-5-yl]methanone

Systemtic Name: azepan-1-yl-[1,3-dimethyl-4-[(phenylmethyl)amino]pyrazolo[3,4-b]pyridin-5-yl]methanone Openeye Name: azepan-1-yl-[4-(benzylamino)-1,3-dimethyl-pyrazolo[3,4-b]pyridin-5-yl]methanone CAS Name: 1-azepanyl-[1,3-dimethyl-4-[(phenylmethyl)amino]-5-pyrazolo[3,4-b]pyridinyl]methanone IUPAC Name: azepan-1-yl-[4-(benzylamino)-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl]methanone Traditional Name: azepan-1-yl-[4-(benzylamino)-1,3-dimethyl-pyrazolo[3,4-b]pyridin-5-yl]methanone Formula: C22H27N5O MolecularWeight: 377.48268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC=C(C(=C12)NCC3=CC=CC=C3)C(=O)N4CCCCCC4)C

Isomeric SMILES

CC1=NN(C2=NC=C(C(=C12)NCC3=CC=CC=C3)C(=O)N4CCCCCC4)C

InChI

InChI=1S/C22H27N5O/c1-16-19-20(23-14-17-10-6-5-7-11-17)18(15-24-21(19)26(2)25-16)22(28)27-12-8-3-4-9-13-27/h5-7,10-11,15H,3-4,8-9,12-14H2,1-2H3,(H,23,24)