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

Systemtic Name: 4-[3-azanyl-4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-2H-phthalazin-1-one Openeye Name: 4-[3-amino-4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-2H-phthalazin-1-one CAS Name: 4-[3-amino-4-[4-(cyclopropylmethyl)-1-piperazinyl]phenyl]-2H-phthalazin-1-one IUPAC Name: 4-[3-amino-4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-2H-phthalazin-1-one Traditional Name: 4-[3-amino-4-[4-(cyclopropylmethyl)piperazino]phenyl]-2H-phthalazin-1-one Formula: C22H25N5O MolecularWeight: 375.4668

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CN2CCN(CC2)C3=C(C=C(C=C3)C4=NNC(=O)C5=CC=CC=C54)N

Isomeric SMILES

C1CC1CN2CCN(CC2)C3=C(C=C(C=C3)C4=NNC(=O)C5=CC=CC=C54)N

InChI

InChI=1S/C22H25N5O/c23-19-13-16(21-17-3-1-2-4-18(17)22(28)25-24-21)7-8-20(19)27-11-9-26(10-12-27)14-15-5-6-15/h1-4,7-8,13,15H,5-6,9-12,14,23H2,(H,25,28)