4-(6-cyclopropyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-N-propyl-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(6-cyclopropyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-N-propyl-1,4-diazepane-1-carboxamide Openeye Name: 4-(6-cyclopropyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-N-propyl-1,4-diazepane-1-carboxamide CAS Name: 4-(6-cyclopropyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)-N-propyl-1,4-diazepane-1-carboxamide IUPAC Name: 4-(6-cyclopropyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-N-propyl-1,4-diazepane-1-carboxamide Traditional Name: 4-(6-cyclopropyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-N-propyl-1,4-diazepane-1-carboxamide Formula: C23H29N7O MolecularWeight: 419.52266

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)N1CCCN(CC1)C2=NC(=NC3=C2C=NN3C4=CC=CC=C4)C5CC5

Isomeric SMILES

CCCNC(=O)N1CCCN(CC1)C2=NC(=NC3=C2C=NN3C4=CC=CC=C4)C5CC5

InChI

InChI=1S/C23H29N7O/c1-2-11-24-23(31)29-13-6-12-28(14-15-29)21-19-16-25-30(18-7-4-3-5-8-18)22(19)27-20(26-21)17-9-10-17/h3-5,7-8,16-17H,2,6,9-15H2,1H3,(H,24,31)