4-[3-azanyl-4-[4-(cyclohexylmethyl)piperazin-1-yl]phenyl]-2H-phthalazin-1-one

Systemtic Name: 4-[3-azanyl-4-[4-(cyclohexylmethyl)piperazin-1-yl]phenyl]-2H-phthalazin-1-one Openeye Name: 4-[3-amino-4-[4-(cyclohexylmethyl)piperazin-1-yl]phenyl]-2H-phthalazin-1-one CAS Name: 4-[3-amino-4-[4-(cyclohexylmethyl)-1-piperazinyl]phenyl]-2H-phthalazin-1-one IUPAC Name: 4-[3-amino-4-[4-(cyclohexylmethyl)piperazin-1-yl]phenyl]-2H-phthalazin-1-one Traditional Name: 4-[3-amino-4-[4-(cyclohexylmethyl)piperazino]phenyl]-2H-phthalazin-1-one Formula: C25H31N5O MolecularWeight: 417.54654

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN2CCN(CC2)C3=C(C=C(C=C3)C4=NNC(=O)C5=CC=CC=C54)N

Isomeric SMILES

C1CCC(CC1)CN2CCN(CC2)C3=C(C=C(C=C3)C4=NNC(=O)C5=CC=CC=C54)N

InChI

InChI=1S/C25H31N5O/c26-22-16-19(24-20-8-4-5-9-21(20)25(31)28-27-24)10-11-23(22)30-14-12-29(13-15-30)17-18-6-2-1-3-7-18/h4-5,8-11,16,18H,1-3,6-7,12-15,17,26H2,(H,28,31)