5-azanyl-3-[3-[(7-chloranylquinazolin-4-yl)amino]propyl]-1-phenyl-pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-3-[3-[(7-chloranylquinazolin-4-yl)amino]propyl]-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 5-amino-3-[3-[(7-chloroquinazolin-4-yl)amino]propyl]-1-phenyl-pyrazole-4-carbonitrile CAS Name: 5-amino-3-[3-[(7-chloro-4-quinazolinyl)amino]propyl]-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 5-amino-3-[3-[(7-chloroquinazolin-4-yl)amino]propyl]-1-phenylpyrazole-4-carbonitrile Traditional Name: 5-amino-3-[3-[(7-chloroquinazolin-4-yl)amino]propyl]-1-phenyl-pyrazole-4-carbonitrile Formula: C21H18ClN7 MolecularWeight: 403.86752

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C(=N2)CCCNC3=NC=NC4=C3C=CC(=C4)Cl)C#N)N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C(=N2)CCCNC3=NC=NC4=C3C=CC(=C4)Cl)C#N)N

InChI

InChI=1S/C21H18ClN7/c22-14-8-9-16-19(11-14)26-13-27-21(16)25-10-4-7-18-17(12-23)20(24)29(28-18)15-5-2-1-3-6-15/h1-3,5-6,8-9,11,13H,4,7,10,24H2,(H,25,26,27)