3-(4-methoxyphenyl)-4-oxidanylidene-N-[2-oxidanylidene-2-(3-pyrrolidin-1-ylpropylamino)ethyl]phthalazine-1-carboxamide

Systemtic Name: 3-(4-methoxyphenyl)-4-oxidanylidene-N-[2-oxidanylidene-2-(3-pyrrolidin-1-ylpropylamino)ethyl]phthalazine-1-carboxamide Openeye Name: 3-(4-methoxyphenyl)-4-oxo-N-[2-oxo-2-(3-pyrrolidin-1-ylpropylamino)ethyl]phthalazine-1-carboxamide CAS Name: 3-(4-methoxyphenyl)-4-oxo-N-[2-oxo-2-[3-(1-pyrrolidinyl)propylamino]ethyl]-1-phthalazinecarboxamide IUPAC Name: 3-(4-methoxyphenyl)-4-oxo-N-[2-oxo-2-(3-pyrrolidin-1-ylpropylamino)ethyl]phthalazine-1-carboxamide Traditional Name: 4-keto-N-[2-keto-2-(3-pyrrolidinopropylamino)ethyl]-3-(4-methoxyphenyl)phthalazine-1-carboxamide Formula: C25H29N5O4 MolecularWeight: 463.52886

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(=O)NCCCN4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(=O)NCCCN4CCCC4

InChI

InChI=1S/C25H29N5O4/c1-34-19-11-9-18(10-12-19)30-25(33)21-8-3-2-7-20(21)23(28-30)24(32)27-17-22(31)26-13-6-16-29-14-4-5-15-29/h2-3,7-12H,4-6,13-17H2,1H3,(H,26,31)(H,27,32)