[4-(6-butyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-naphthalen-2-yl-methanone

Systemtic Name: [4-(6-butyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-naphthalen-2-yl-methanone Openeye Name: [4-(6-butyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-(2-naphthyl)methanone CAS Name: [4-(6-butyl-3-methyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)-1,4-diazepan-1-yl]-(2-naphthalenyl)methanone IUPAC Name: [4-(6-butyl-3-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-naphthalen-2-ylmethanone Traditional Name: [4-(6-butyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-(2-naphthyl)methanone Formula: C32H34N6O MolecularWeight: 518.65196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=N1)N4CCCN(CC4)C(=O)C5=CC6=CC=CC=C6C=C5

Isomeric SMILES

CCCCC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=N1)N4CCCN(CC4)C(=O)C5=CC6=CC=CC=C6C=C5

InChI

InChI=1S/C32H34N6O/c1-3-4-15-28-33-30(29-23(2)35-38(31(29)34-28)27-13-6-5-7-14-27)36-18-10-19-37(21-20-36)32(39)26-17-16-24-11-8-9-12-25(24)22-26/h5-9,11-14,16-17,22H,3-4,10,15,18-21H2,1-2H3