3-[[4-[(4-chlorophenyl)methylamino]quinazolin-2-yl]-(phenylmethyl)amino]propanenitrile

Systemtic Name: 3-[[4-[(4-chlorophenyl)methylamino]quinazolin-2-yl]-(phenylmethyl)amino]propanenitrile Openeye Name: 3-[benzyl-[4-[(4-chlorophenyl)methylamino]quinazolin-2-yl]amino]propanenitrile CAS Name: 3-[[4-[(4-chlorophenyl)methylamino]-2-quinazolinyl]-(phenylmethyl)amino]propanenitrile IUPAC Name: 3-[benzyl-[4-[(4-chlorophenyl)methylamino]quinazolin-2-yl]amino]propanenitrile Traditional Name: 3-[benzyl-[4-[(4-chlorobenzyl)amino]quinazolin-2-yl]amino]propionitrile Formula: C25H22ClN5 MolecularWeight: 427.92868

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCC#N)C2=NC3=CC=CC=C3C(=N2)NCC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN(CCC#N)C2=NC3=CC=CC=C3C(=N2)NCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H22ClN5/c26-21-13-11-19(12-14-21)17-28-24-22-9-4-5-10-23(22)29-25(30-24)31(16-6-15-27)18-20-7-2-1-3-8-20/h1-5,7-14H,6,16-18H2,(H,28,29,30)