N-[4-(2-diethylaminoethylcarbamoyl)phenyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-[4-(2-diethylaminoethylcarbamoyl)phenyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[4-(2-diethylaminoethylcarbamoyl)phenyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[4-[(2-diethylaminoethylamino)-oxomethyl]phenyl]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[4-(2-diethylaminoethylcarbamoyl)phenyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-N-[4-(2-diethylaminoethylcarbamoyl)phenyl]-4-keto-phthalazine-1-carboxamide Formula: C29H31N5O3 MolecularWeight: 497.58814

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C29H31N5O3/c1-3-33(4-2)19-18-30-27(35)22-14-16-23(17-15-22)31-28(36)26-24-12-8-9-13-25(24)29(37)34(32-26)20-21-10-6-5-7-11-21/h5-17H,3-4,18-20H2,1-2H3,(H,30,35)(H,31,36)