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

Systemtic Name: N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(2S)-2-(4-methoxyphenyl)-2-(1-pyrrolidinyl)ethyl]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: 4-keto-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidino-ethyl]-3-methyl-phthalazine-1-carboxamide Formula: C23H26N4O3 MolecularWeight: 406.47754

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC(C3=CC=C(C=C3)OC)N4CCCC4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC[C@H](C3=CC=C(C=C3)OC)N4CCCC4

InChI

InChI=1S/C23H26N4O3/c1-26-23(29)19-8-4-3-7-18(19)21(25-26)22(28)24-15-20(27-13-5-6-14-27)16-9-11-17(30-2)12-10-16/h3-4,7-12,20H,5-6,13-15H2,1-2H3,(H,24,28)/t20-/m1/s1