5-azanyl-N-[2-(dipropylamino)-5-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]pentanamide dihydrochloride

Systemtic Name: 5-azanyl-N-[2-(dipropylamino)-5-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]pentanamide dihydrochloride Openeye Name: 5-amino-N-[2-(dipropylamino)-5-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide dihydrochloride CAS Name: 5-amino-N-[2-(dipropylamino)-5-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide dihydrochloride IUPAC Name: 5-amino-N-[2-(dipropylamino)-5-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide dihydrochloride Traditional Name: 5-amino-N-[2-(dipropylamino)-5-(4-keto-3H-phthalazin-1-yl)phenyl]valeramide dihydrochloride Formula: C25H35Cl2N5O2 MolecularWeight: 508.4837

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1=C(C=C(C=C1)C2=NNC(=O)C3=CC=CC=C32)NC(=O)CCCCN.Cl.Cl

Isomeric SMILES

CCCN(CCC)C1=C(C=C(C=C1)C2=NNC(=O)C3=CC=CC=C32)NC(=O)CCCCN.Cl.Cl

InChI

InChI=1S/C25H33N5O2.2ClH/c1-3-15-30(16-4-2)22-13-12-18(17-21(22)27-23(31)11-7-8-14-26)24-19-9-5-6-10-20(19)25(32)29-28-24;;/h5-6,9-10,12-13,17H,3-4,7-8,11,14-16,26H2,1-2H3,(H,27,31)(H,29,32);2*1H