4-[(4-chloranyl-2-fluoranyl-phenyl)amino]-2-[4-(2-pyrrolidin-2-ylethanoyl)piperazin-1-yl]quinazoline-7-carbonitrile

Systemtic Name: 4-[(4-chloranyl-2-fluoranyl-phenyl)amino]-2-[4-(2-pyrrolidin-2-ylethanoyl)piperazin-1-yl]quinazoline-7-carbonitrile Openeye Name: 4-(4-chloro-2-fluoro-anilino)-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]quinazoline-7-carbonitrile CAS Name: 4-(4-chloro-2-fluoroanilino)-2-[4-[1-oxo-2-(2-pyrrolidinyl)ethyl]-1-piperazinyl]-7-quinazolinecarbonitrile IUPAC Name: 4-(4-chloro-2-fluoroanilino)-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]quinazoline-7-carbonitrile Traditional Name: 4-(4-chloro-2-fluoro-anilino)-2-[4-(2-pyrrolidin-2-ylacetyl)piperazino]quinazoline-7-carbonitrile Formula: C25H25ClFN7O MolecularWeight: 493.963703

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)CC(=O)N2CCN(CC2)C3=NC4=C(C=CC(=C4)C#N)C(=N3)NC5=C(C=C(C=C5)Cl)F

Isomeric SMILES

C1CC(NC1)CC(=O)N2CCN(CC2)C3=NC4=C(C=CC(=C4)C#N)C(=N3)NC5=C(C=C(C=C5)Cl)F

InChI

InChI=1S/C25H25ClFN7O/c26-17-4-6-21(20(27)13-17)30-24-19-5-3-16(15-28)12-22(19)31-25(32-24)34-10-8-33(9-11-34)23(35)14-18-2-1-7-29-18/h3-6,12-13,18,29H,1-2,7-11,14H2,(H,30,31,32)