3-[4-(4-methylpiperazin-1-yl)-1-(propan-2-ylamino)cyclohexyl]phenol

Systemtic Name: 3-[4-(4-methylpiperazin-1-yl)-1-(propan-2-ylamino)cyclohexyl]phenol Openeye Name: 3-[1-(isopropylamino)-4-(4-methylpiperazin-1-yl)cyclohexyl]phenol CAS Name: 3-[4-(4-methyl-1-piperazinyl)-1-(propan-2-ylamino)cyclohexyl]phenol IUPAC Name: 3-[4-(4-methylpiperazin-1-yl)-1-(propan-2-ylamino)cyclohexyl]phenol Traditional Name: 3-[1-(isopropylamino)-4-(4-methylpiperazino)cyclohexyl]phenol Formula: C20H33N3O MolecularWeight: 331.49552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1(CCC(CC1)N2CCN(CC2)C)C3=CC(=CC=C3)O

Isomeric SMILES

CC(C)NC1(CCC(CC1)N2CCN(CC2)C)C3=CC(=CC=C3)O

InChI

InChI=1S/C20H33N3O/c1-16(2)21-20(17-5-4-6-19(24)15-17)9-7-18(8-10-20)23-13-11-22(3)12-14-23/h4-6,15-16,18,21,24H,7-14H2,1-3H3