3-methyl-4-oxidanylidene-N-[(4-pyrrolidin-1-ylphenyl)methyl]phthalazine-1-carboxamide

Systemtic Name: 3-methyl-4-oxidanylidene-N-[(4-pyrrolidin-1-ylphenyl)methyl]phthalazine-1-carboxamide Openeye Name: 3-methyl-4-oxo-N-[(4-pyrrolidin-1-ylphenyl)methyl]phthalazine-1-carboxamide CAS Name: 3-methyl-4-oxo-N-[[4-(1-pyrrolidinyl)phenyl]methyl]-1-phthalazinecarboxamide IUPAC Name: 3-methyl-4-oxo-N-[(4-pyrrolidin-1-ylphenyl)methyl]phthalazine-1-carboxamide Traditional Name: 4-keto-3-methyl-N-(4-pyrrolidinobenzyl)phthalazine-1-carboxamide Formula: C21H22N4O2 MolecularWeight: 362.42498

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC=C(C=C3)N4CCCC4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC=C(C=C3)N4CCCC4

InChI

InChI=1S/C21H22N4O2/c1-24-21(27)18-7-3-2-6-17(18)19(23-24)20(26)22-14-15-8-10-16(11-9-15)25-12-4-5-13-25/h2-3,6-11H,4-5,12-14H2,1H3,(H,22,26)