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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCCN(CC4)C(=O)C5=CC=CC6=CC=CC=C65

Isomeric SMILES

CCCC(C)C1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCCN(CC4)C(=O)C5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C32H34N6O/c1-3-11-23(2)29-34-30(28-22-33-38(31(28)35-29)25-14-5-4-6-15-25)36-18-10-19-37(21-20-36)32(39)27-17-9-13-24-12-7-8-16-26(24)27/h4-9,12-17,22-23H,3,10-11,18-21H2,1-2H3