3-butyl-4-oxidanylidene-N-[(E)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]phthalazine-1-carboxamide

Systemtic Name: 3-butyl-4-oxidanylidene-N-[(E)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]phthalazine-1-carboxamide Openeye Name: 3-butyl-4-oxo-N-[(E)-[5-(1-piperidyl)-2-thienyl]methyleneamino]phthalazine-1-carboxamide CAS Name: 3-butyl-4-oxo-N-[(E)-[5-(1-piperidinyl)-2-thiophenyl]methylideneamino]-1-phthalazinecarboxamide IUPAC Name: 3-butyl-4-oxo-N-[(E)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]phthalazine-1-carboxamide Traditional Name: 3-butyl-4-keto-N-[(E)-(5-piperidino-2-thienyl)methyleneamino]phthalazine-1-carboxamide Formula: C23H27N5O2S MolecularWeight: 437.55778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=CC3=CC=C(S3)N4CCCCC4

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N/N=C/C3=CC=C(S3)N4CCCCC4

InChI

InChI=1S/C23H27N5O2S/c1-2-3-15-28-23(30)19-10-6-5-9-18(19)21(26-28)22(29)25-24-16-17-11-12-20(31-17)27-13-7-4-8-14-27/h5-6,9-12,16H,2-4,7-8,13-15H2,1H3,(H,25,29)/b24-16+