4-[3-[(4-azanylbutylamino)methyl]phenyl]-2H-phthalazin-1-one

Systemtic Name: 4-[3-[(4-azanylbutylamino)methyl]phenyl]-2H-phthalazin-1-one Openeye Name: 4-[3-[(4-aminobutylamino)methyl]phenyl]-2H-phthalazin-1-one CAS Name: 4-[3-[(4-aminobutylamino)methyl]phenyl]-2H-phthalazin-1-one IUPAC Name: 4-[3-[(4-aminobutylamino)methyl]phenyl]-2H-phthalazin-1-one Traditional Name: 4-[3-[(4-aminobutylamino)methyl]phenyl]-2H-phthalazin-1-one Formula: C19H22N4O MolecularWeight: 322.40418

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)C3=CC(=CC=C3)CNCCCCN

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)C3=CC(=CC=C3)CNCCCCN

InChI

InChI=1S/C19H22N4O/c20-10-3-4-11-21-13-14-6-5-7-15(12-14)18-16-8-1-2-9-17(16)19(24)23-22-18/h1-2,5-9,12,21H,3-4,10-11,13,20H2,(H,23,24)