N-(cyclohexylmethyl)-4-[4-(3-methoxyphenyl)piperazin-1-yl]phthalazine-1-carboxamide

Systemtic Name: N-(cyclohexylmethyl)-4-[4-(3-methoxyphenyl)piperazin-1-yl]phthalazine-1-carboxamide Openeye Name: N-(cyclohexylmethyl)-4-[4-(3-methoxyphenyl)piperazin-1-yl]phthalazine-1-carboxamide CAS Name: N-(cyclohexylmethyl)-4-[4-(3-methoxyphenyl)-1-piperazinyl]-1-phthalazinecarboxamide IUPAC Name: N-(cyclohexylmethyl)-4-[4-(3-methoxyphenyl)piperazin-1-yl]phthalazine-1-carboxamide Traditional Name: N-(cyclohexylmethyl)-4-[4-(3-methoxyphenyl)piperazino]phthalazine-1-carboxamide Formula: C27H33N5O2 MolecularWeight: 459.58322

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CCN(CC2)C3=NN=C(C4=CC=CC=C43)C(=O)NCC5CCCCC5

Isomeric SMILES

COC1=CC=CC(=C1)N2CCN(CC2)C3=NN=C(C4=CC=CC=C43)C(=O)NCC5CCCCC5

InChI

InChI=1S/C27H33N5O2/c1-34-22-11-7-10-21(18-22)31-14-16-32(17-15-31)26-24-13-6-5-12-23(24)25(29-30-26)27(33)28-19-20-8-3-2-4-9-20/h5-7,10-13,18,20H,2-4,8-9,14-17,19H2,1H3,(H,28,33)