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

Systemtic Name: 4-(6-ethyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-N-propyl-1,4-diazepane-1-carboxamide Openeye Name: 4-(6-ethyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-N-propyl-1,4-diazepane-1-carboxamide CAS Name: 4-(6-ethyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)-N-propyl-1,4-diazepane-1-carboxamide IUPAC Name: 4-(6-ethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-N-propyl-1,4-diazepane-1-carboxamide Traditional Name: 4-(6-ethyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-N-propyl-1,4-diazepane-1-carboxamide Formula: C22H29N7O MolecularWeight: 407.51196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N7O/c1-3-11-23-22(30)28-13-8-12-27(14-15-28)20-18-16-24-29(17-9-6-5-7-10-17)21(18)26-19(4-2)25-20/h5-7,9-10,16H,3-4,8,11-15H2,1-2H3,(H,23,30)