3-butyl-4-oxidanylidene-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]phthalazine-1-carboxamide

Systemtic Name: 3-butyl-4-oxidanylidene-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]phthalazine-1-carboxamide Openeye Name: 3-butyl-4-oxo-N-[(E)-(4-pyrrolidin-1-ylphenyl)methyleneamino]phthalazine-1-carboxamide CAS Name: 3-butyl-4-oxo-N-[(E)-[4-(1-pyrrolidinyl)phenyl]methylideneamino]-1-phthalazinecarboxamide IUPAC Name: 3-butyl-4-oxo-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]phthalazine-1-carboxamide Traditional Name: 3-butyl-4-keto-N-[(E)-(4-pyrrolidinobenzylidene)amino]phthalazine-1-carboxamide Formula: C24H27N5O2 MolecularWeight: 417.50348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=CC3=CC=C(C=C3)N4CCCC4

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N/N=C/C3=CC=C(C=C3)N4CCCC4

InChI

InChI=1S/C24H27N5O2/c1-2-3-16-29-24(31)21-9-5-4-8-20(21)22(27-29)23(30)26-25-17-18-10-12-19(13-11-18)28-14-6-7-15-28/h4-5,8-13,17H,2-3,6-7,14-16H2,1H3,(H,26,30)/b25-17+