4-oxidanylidene-N-[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]-3-propyl-phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-N-[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]-3-propyl-phthalazine-1-carboxamide Openeye Name: 4-oxo-N-[(Z)-[4-(1-piperidyl)phenyl]methyleneamino]-3-propyl-phthalazine-1-carboxamide CAS Name: 4-oxo-N-[(Z)-[4-(1-piperidinyl)phenyl]methylideneamino]-3-propyl-1-phthalazinecarboxamide IUPAC Name: 4-oxo-N-[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]-3-propylphthalazine-1-carboxamide Traditional Name: 4-keto-N-[(Z)-(4-piperidinobenzylidene)amino]-3-propyl-phthalazine-1-carboxamide Formula: C24H27N5O2 MolecularWeight: 417.50348

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=CC3=CC=C(C=C3)N4CCCCC4

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N/N=C\C3=CC=C(C=C3)N4CCCCC4

InChI

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