4-(azepan-1-yl)-N-(3-chlorophenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-amine

Systemtic Name: 4-(azepan-1-yl)-N-(3-chlorophenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-amine Openeye Name: 4-(azepan-1-yl)-N-(3-chlorophenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-amine CAS Name: 4-(1-azepanyl)-N-(3-chlorophenyl)-1-phenyl-6-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 4-(azepan-1-yl)-N-(3-chlorophenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-6-amine Traditional Name: [4-(azepan-1-yl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]-(3-chlorophenyl)amine Formula: C23H23ClN6 MolecularWeight: 418.92192

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=NC3=C2C=NN3C4=CC=CC=C4)NC5=CC(=CC=C5)Cl

Isomeric SMILES

C1CCCN(CC1)C2=NC(=NC3=C2C=NN3C4=CC=CC=C4)NC5=CC(=CC=C5)Cl

InChI

InChI=1S/C23H23ClN6/c24-17-9-8-10-18(15-17)26-23-27-21(29-13-6-1-2-7-14-29)20-16-25-30(22(20)28-23)19-11-4-3-5-12-19/h3-5,8-12,15-16H,1-2,6-7,13-14H2,(H,26,27,28)