4-[(4-chloranyl-2-fluoranyl-phenyl)amino]-6-methoxy-2-[4-(2-pyrrolidin-2-ylethanoyl)piperazin-1-yl]quinazoline-7-carbonitrile

Systemtic Name: 4-[(4-chloranyl-2-fluoranyl-phenyl)amino]-6-methoxy-2-[4-(2-pyrrolidin-2-ylethanoyl)piperazin-1-yl]quinazoline-7-carbonitrile Openeye Name: 4-(4-chloro-2-fluoro-anilino)-6-methoxy-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]quinazoline-7-carbonitrile CAS Name: 4-(4-chloro-2-fluoroanilino)-6-methoxy-2-[4-[1-oxo-2-(2-pyrrolidinyl)ethyl]-1-piperazinyl]-7-quinazolinecarbonitrile IUPAC Name: 4-(4-chloro-2-fluoroanilino)-6-methoxy-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]quinazoline-7-carbonitrile Traditional Name: 4-(4-chloro-2-fluoro-anilino)-6-methoxy-2-[4-(2-pyrrolidin-2-ylacetyl)piperazino]quinazoline-7-carbonitrile Formula: C26H27ClFN7O2 MolecularWeight: 523.989683

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1C#N)N=C(N=C2NC3=C(C=C(C=C3)Cl)F)N4CCN(CC4)C(=O)CC5CCCN5

Isomeric SMILES

COC1=CC2=C(C=C1C#N)N=C(N=C2NC3=C(C=C(C=C3)Cl)F)N4CCN(CC4)C(=O)CC5CCCN5

InChI

InChI=1S/C26H27ClFN7O2/c1-37-23-14-19-22(11-16(23)15-29)32-26(33-25(19)31-21-5-4-17(27)12-20(21)28)35-9-7-34(8-10-35)24(36)13-18-3-2-6-30-18/h4-5,11-12,14,18,30H,2-3,6-10,13H2,1H3,(H,31,32,33)