1-(1-adamantyl)-N-[3-(4-methylpiperazin-1-yl)prop-1-ynoxy]-1-phenyl-methanimine

Systemtic Name: 1-(1-adamantyl)-N-[3-(4-methylpiperazin-1-yl)prop-1-ynoxy]-1-phenyl-methanimine Openeye Name: 1-(1-adamantyl)-N-[3-(4-methylpiperazin-1-yl)prop-1-ynoxy]-1-phenyl-methanimine CAS Name: 1-(1-adamantyl)-N-[3-(4-methyl-1-piperazinyl)prop-1-ynoxy]-1-phenylmethanimine IUPAC Name: 1-(1-adamantyl)-N-[3-(4-methylpiperazin-1-yl)prop-1-ynoxy]-1-phenylmethanimine Traditional Name: (Z)-[1-adamantyl(phenyl)methylene]-[3-(4-methylpiperazino)prop-1-ynoxy]amine Formula: C25H33N3O MolecularWeight: 391.54902

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC#CON=C(C2=CC=CC=C2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN1CCN(CC1)CC#CO/N=C(\C2=CC=CC=C2)/C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H33N3O/c1-27-9-11-28(12-10-27)8-5-13-29-26-24(23-6-3-2-4-7-23)25-17-20-14-21(18-25)16-22(15-20)19-25/h2-4,6-7,20-22H,8-12,14-19H2,1H3/b26-24+