5-(4-methoxyphenyl)-7-[(phenylmethyl)amino]pyrazolo[1,5-a]pyrimidine-6-carbonitrile

Systemtic Name: 5-(4-methoxyphenyl)-7-[(phenylmethyl)amino]pyrazolo[1,5-a]pyrimidine-6-carbonitrile Openeye Name: 7-(benzylamino)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile CAS Name: 5-(4-methoxyphenyl)-7-[(phenylmethyl)amino]-6-pyrazolo[1,5-a]pyrimidinecarbonitrile IUPAC Name: 7-(benzylamino)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile Traditional Name: 7-(benzylamino)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile Formula: C21H17N5O MolecularWeight: 355.39258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=CC=NN3C(=C2C#N)NCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=CC=NN3C(=C2C#N)NCC4=CC=CC=C4

InChI

InChI=1S/C21H17N5O/c1-27-17-9-7-16(8-10-17)20-18(13-22)21(26-19(25-20)11-12-24-26)23-14-15-5-3-2-4-6-15/h2-12,23H,14H2,1H3