3-azanyl-5-[3-[(2-phenylquinazolin-4-yl)amino]propyl]-1H-pyrazole-4-carbonitrile

Systemtic Name: 3-azanyl-5-[3-[(2-phenylquinazolin-4-yl)amino]propyl]-1H-pyrazole-4-carbonitrile Openeye Name: 3-amino-5-[3-[(2-phenylquinazolin-4-yl)amino]propyl]-1H-pyrazole-4-carbonitrile CAS Name: 3-amino-5-[3-[(2-phenyl-4-quinazolinyl)amino]propyl]-1H-pyrazole-4-carbonitrile IUPAC Name: 3-amino-5-[3-[(2-phenylquinazolin-4-yl)amino]propyl]-1H-pyrazole-4-carbonitrile Traditional Name: 3-amino-5-[3-[(2-phenylquinazolin-4-yl)amino]propyl]-1H-pyrazole-4-carbonitrile Formula: C21H19N7 MolecularWeight: 369.42246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NCCCC4=C(C(=NN4)N)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NCCCC4=C(C(=NN4)N)C#N

InChI

InChI=1S/C21H19N7/c22-13-16-18(27-28-19(16)23)11-6-12-24-21-15-9-4-5-10-17(15)25-20(26-21)14-7-2-1-3-8-14/h1-5,7-10H,6,11-12H2,(H3,23,27,28)(H,24,25,26)