N-cycloheptyl-6,7-dimethoxy-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine

Systemtic Name: N-cycloheptyl-6,7-dimethoxy-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine Openeye Name: N-cycloheptyl-6,7-dimethoxy-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine CAS Name: N-cycloheptyl-6,7-dimethoxy-2-(4-phenyl-1-piperazinyl)-4-quinazolinamine IUPAC Name: N-cycloheptyl-6,7-dimethoxy-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine Traditional Name: cycloheptyl-[6,7-dimethoxy-2-(4-phenylpiperazino)quinazolin-4-yl]amine Formula: C27H35N5O2 MolecularWeight: 461.5991

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C4=CC=CC=C4)NC5CCCCCC5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C4=CC=CC=C4)NC5CCCCCC5)OC

InChI

InChI=1S/C27H35N5O2/c1-33-24-18-22-23(19-25(24)34-2)29-27(30-26(22)28-20-10-6-3-4-7-11-20)32-16-14-31(15-17-32)21-12-8-5-9-13-21/h5,8-9,12-13,18-20H,3-4,6-7,10-11,14-17H2,1-2H3,(H,28,29,30)