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

Systemtic Name: 4-[3-azanyl-4-(4-cyclopropylpiperazin-1-yl)phenyl]-2H-phthalazin-1-one Openeye Name: 4-[3-amino-4-(4-cyclopropylpiperazin-1-yl)phenyl]-2H-phthalazin-1-one CAS Name: 4-[3-amino-4-(4-cyclopropyl-1-piperazinyl)phenyl]-2H-phthalazin-1-one IUPAC Name: 4-[3-amino-4-(4-cyclopropylpiperazin-1-yl)phenyl]-2H-phthalazin-1-one Traditional Name: 4-[3-amino-4-(4-cyclopropylpiperazino)phenyl]-2H-phthalazin-1-one Formula: C21H23N5O MolecularWeight: 361.44022

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2CCN(CC2)C3=C(C=C(C=C3)C4=NNC(=O)C5=CC=CC=C54)N

Isomeric SMILES

C1CC1N2CCN(CC2)C3=C(C=C(C=C3)C4=NNC(=O)C5=CC=CC=C54)N

InChI

InChI=1S/C21H23N5O/c22-18-13-14(20-16-3-1-2-4-17(16)21(27)24-23-20)5-8-19(18)26-11-9-25(10-12-26)15-6-7-15/h1-5,8,13,15H,6-7,9-12,22H2,(H,24,27)