4-[4-[(3-methylphenyl)methyl]-1,4-diazepan-1-yl]-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-[4-[(3-methylphenyl)methyl]-1,4-diazepan-1-yl]-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[4-(m-tolylmethyl)-1,4-diazepan-1-yl]-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[4-[(3-methylphenyl)methyl]-1,4-diazepan-1-yl]-1-phenyl-6-propylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[4-[(3-methylphenyl)methyl]-1,4-diazepan-1-yl]-1-phenyl-6-propylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-[4-(3-methylbenzyl)-1,4-diazepan-1-yl]-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidine Formula: C27H32N6 MolecularWeight: 440.58318

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCCN(CC4)CC5=CC=CC(=C5)C

Isomeric SMILES

CCCC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCCN(CC4)CC5=CC=CC(=C5)C

InChI

InChI=1S/C27H32N6/c1-3-9-25-29-26(24-19-28-33(27(24)30-25)23-12-5-4-6-13-23)32-15-8-14-31(16-17-32)20-22-11-7-10-21(2)18-22/h4-7,10-13,18-19H,3,8-9,14-17,20H2,1-2H3