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

Systemtic Name: 4-oxidanylidene-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]-3H-phthalazine-1-carboxamide Openeye Name: 4-oxo-N-[(Z)-[5-(1-piperidyl)-2-thienyl]methyleneamino]-3H-phthalazine-1-carboxamide CAS Name: 4-oxo-N-[(Z)-[5-(1-piperidinyl)-2-thiophenyl]methylideneamino]-3H-phthalazine-1-carboxamide IUPAC Name: 4-oxo-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]-3H-phthalazine-1-carboxamide Traditional Name: 4-keto-N-[(Z)-(5-piperidino-2-thienyl)methyleneamino]-3H-phthalazine-1-carboxamide Formula: C19H19N5O2S MolecularWeight: 381.45146

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(S2)C=NNC(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1CCN(CC1)C2=CC=C(S2)/C=N\NC(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C19H19N5O2S/c25-18-15-7-3-2-6-14(15)17(21-23-18)19(26)22-20-12-13-8-9-16(27-13)24-10-4-1-5-11-24/h2-3,6-9,12H,1,4-5,10-11H2,(H,22,26)(H,23,25)/b20-12-