naphthalen-1-yl-[4-(1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone

Systemtic Name: naphthalen-1-yl-[4-(1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone Openeye Name: 1-naphthyl-[4-(1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone CAS Name: 1-naphthalenyl-[4-(1-phenyl-6-propyl-4-pyrazolo[3,4-d]pyrimidinyl)-1,4-diazepan-1-yl]methanone IUPAC Name: naphthalen-1-yl-[4-(1-phenyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone Traditional Name: 1-naphthyl-[4-(1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone Formula: C30H30N6O MolecularWeight: 490.5988

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCCN(CC4)C(=O)C5=CC=CC6=CC=CC=C65

Isomeric SMILES

CCCC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCCN(CC4)C(=O)C5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C30H30N6O/c1-2-10-27-32-28(26-21-31-36(29(26)33-27)23-13-4-3-5-14-23)34-17-9-18-35(20-19-34)30(37)25-16-8-12-22-11-6-7-15-24(22)25/h3-8,11-16,21H,2,9-10,17-20H2,1H3