ethyl 2-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propylcarbamoylamino]-3-phenyl-propanoate

Systemtic Name: ethyl 2-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propylcarbamoylamino]-3-phenyl-propanoate Openeye Name: ethyl 2-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propylcarbamoylamino]-3-phenyl-propanoate CAS Name: 2-[[oxo-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propylamino]methyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propylcarbamoylamino]-3-phenylpropanoate Traditional Name: 2-[3-[(4-keto-3H-phthalazin-1-yl)amino]propylcarbamoylamino]-3-phenyl-propionic acid ethyl ester Formula: C23H27N5O4 MolecularWeight: 437.49158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)NCCCNC2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)NCCCNC2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C23H27N5O4/c1-2-32-22(30)19(15-16-9-4-3-5-10-16)26-23(31)25-14-8-13-24-20-17-11-6-7-12-18(17)21(29)28-27-20/h3-7,9-12,19H,2,8,13-15H2,1H3,(H,24,27)(H,28,29)(H2,25,26,31)