4-chloranyl-1-oxidanylidene-N-[3-(piperidin-1-ylmethyl)phenyl]-2H-phthalazine-6-carboxamide

Systemtic Name: 4-chloranyl-1-oxidanylidene-N-[3-(piperidin-1-ylmethyl)phenyl]-2H-phthalazine-6-carboxamide Openeye Name: 4-chloro-1-oxo-N-[3-(1-piperidylmethyl)phenyl]-2H-phthalazine-6-carboxamide CAS Name: 4-chloro-1-oxo-N-[3-(1-piperidinylmethyl)phenyl]-2H-phthalazine-6-carboxamide IUPAC Name: 4-chloro-1-oxo-N-[3-(piperidin-1-ylmethyl)phenyl]-2H-phthalazine-6-carboxamide Traditional Name: 4-chloro-1-keto-N-[3-(piperidinomethyl)phenyl]-2H-phthalazine-6-carboxamide Formula: C21H21ClN4O2 MolecularWeight: 396.87004

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC(=CC=C2)NC(=O)C3=CC4=C(C=C3)C(=O)NN=C4Cl

Isomeric SMILES

C1CCN(CC1)CC2=CC(=CC=C2)NC(=O)C3=CC4=C(C=C3)C(=O)NN=C4Cl

InChI

InChI=1S/C21H21ClN4O2/c22-19-18-12-15(7-8-17(18)21(28)25-24-19)20(27)23-16-6-4-5-14(11-16)13-26-9-2-1-3-10-26/h4-8,11-12H,1-3,9-10,13H2,(H,23,27)(H,25,28)