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

Systemtic Name: [4-(3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-naphthalen-1-yl-methanone Openeye Name: [4-(3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-(1-naphthyl)methanone CAS Name: [4-(3-methyl-1-phenyl-6-propyl-4-pyrazolo[3,4-d]pyrimidinyl)-1,4-diazepan-1-yl]-(1-naphthalenyl)methanone IUPAC Name: [4-(3-methyl-1-phenyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-naphthalen-1-ylmethanone Traditional Name: [4-(3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-(1-naphthyl)methanone Formula: C31H32N6O MolecularWeight: 504.62538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H32N6O/c1-3-11-27-32-29(28-22(2)34-37(30(28)33-27)24-14-5-4-6-15-24)35-18-10-19-36(21-20-35)31(38)26-17-9-13-23-12-7-8-16-25(23)26/h4-9,12-17H,3,10-11,18-21H2,1-2H3