4-azanyl-N-[2-chloranyl-5-(4-oxidanylidene-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]cyclohexane-1-carboxamide

Systemtic Name: 4-azanyl-N-[2-chloranyl-5-(4-oxidanylidene-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]cyclohexane-1-carboxamide Openeye Name: 4-amino-N-[2-chloro-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]cyclohexanecarboxamide CAS Name: 4-amino-N-[2-chloro-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]-1-cyclohexanecarboxamide IUPAC Name: 4-amino-N-[2-chloro-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]cyclohexane-1-carboxamide Traditional Name: 4-amino-N-[2-chloro-5-(4-keto-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]cyclohexanecarboxamide Formula: C21H25ClN4O2 MolecularWeight: 400.9018

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=NNC2=O)C3=CC(=C(C=C3)Cl)NC(=O)C4CCC(CC4)N

Isomeric SMILES

C1CCC2=C(C1)C(=NNC2=O)C3=CC(=C(C=C3)Cl)NC(=O)C4CCC(CC4)N

InChI

InChI=1S/C21H25ClN4O2/c22-17-10-7-13(19-15-3-1-2-4-16(15)21(28)26-25-19)11-18(17)24-20(27)12-5-8-14(23)9-6-12/h7,10-12,14H,1-6,8-9,23H2,(H,24,27)(H,26,28)