4-[[[6-chloranyl-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]methyl]benzenecarbonitrile

Systemtic Name: 4-[[[6-chloranyl-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]methyl]benzenecarbonitrile Openeye Name: 4-[[[6-chloro-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]methyl]benzonitrile CAS Name: 4-[[[6-chloro-2-(4-methyl-1-piperazinyl)-4-quinazolinyl]amino]methyl]benzonitrile IUPAC Name: 4-[[[6-chloro-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]methyl]benzonitrile Traditional Name: 4-[[[6-chloro-2-(4-methylpiperazino)quinazolin-4-yl]amino]methyl]benzonitrile Formula: C21H21ClN6 MolecularWeight: 392.88464

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC3=C(C=C(C=C3)Cl)C(=N2)NCC4=CC=C(C=C4)C#N

Isomeric SMILES

CN1CCN(CC1)C2=NC3=C(C=C(C=C3)Cl)C(=N2)NCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H21ClN6/c1-27-8-10-28(11-9-27)21-25-19-7-6-17(22)12-18(19)20(26-21)24-14-16-4-2-15(13-23)3-5-16/h2-7,12H,8-11,14H2,1H3,(H,24,25,26)