cyclohexyl-[4-[4-[4-(hydroxymethyl)phenyl]phthalazin-1-yl]-3-methyl-piperazin-1-yl]methanone

Systemtic Name: cyclohexyl-[4-[4-[4-(hydroxymethyl)phenyl]phthalazin-1-yl]-3-methyl-piperazin-1-yl]methanone Openeye Name: cyclohexyl-[4-[4-[4-(hydroxymethyl)phenyl]phthalazin-1-yl]-3-methyl-piperazin-1-yl]methanone CAS Name: cyclohexyl-[4-[4-[4-(hydroxymethyl)phenyl]-1-phthalazinyl]-3-methyl-1-piperazinyl]methanone IUPAC Name: cyclohexyl-[4-[4-[4-(hydroxymethyl)phenyl]phthalazin-1-yl]-3-methylpiperazin-1-yl]methanone Traditional Name: cyclohexyl-[3-methyl-4-[4-(4-methylolphenyl)phthalazin-1-yl]piperazino]methanone Formula: C27H32N4O2 MolecularWeight: 444.56858

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)CO)C(=O)C5CCCCC5

Isomeric SMILES

CC1CN(CCN1C2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)CO)C(=O)C5CCCCC5

InChI

InChI=1S/C27H32N4O2/c1-19-17-30(27(33)22-7-3-2-4-8-22)15-16-31(19)26-24-10-6-5-9-23(24)25(28-29-26)21-13-11-20(18-32)12-14-21/h5-6,9-14,19,22,32H,2-4,7-8,15-18H2,1H3