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

Systemtic Name: N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[2-(3-methoxyphenyl)-2-(1-pyrrolidinyl)ethyl]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-4-keto-N-[2-(3-methoxyphenyl)-2-pyrrolidino-ethyl]phthalazine-1-carboxamide Formula: C29H30N4O3 MolecularWeight: 482.5735

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(CNC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4)N5CCCC5

Isomeric SMILES

COC1=CC=CC(=C1)C(CNC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4)N5CCCC5

InChI

InChI=1S/C29H30N4O3/c1-36-23-13-9-12-22(18-23)26(32-16-7-8-17-32)19-30-28(34)27-24-14-5-6-15-25(24)29(35)33(31-27)20-21-10-3-2-4-11-21/h2-6,9-15,18,26H,7-8,16-17,19-20H2,1H3,(H,30,34)