N-[1-(4-bromophenyl)propyl]-4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxamide

Systemtic Name: N-[1-(4-bromophenyl)propyl]-4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxamide Openeye Name: N-[1-(4-bromophenyl)propyl]-3-isopropyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[1-(4-bromophenyl)propyl]-4-oxo-3-propan-2-yl-1-phthalazinecarboxamide IUPAC Name: N-[1-(4-bromophenyl)propyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide Traditional Name: N-[1-(4-bromophenyl)propyl]-3-isopropyl-4-keto-phthalazine-1-carboxamide Formula: C21H22BrN3O2 MolecularWeight: 428.32228

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)Br)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C(C)C

Isomeric SMILES

CCC(C1=CC=C(C=C1)Br)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C(C)C

InChI

InChI=1S/C21H22BrN3O2/c1-4-18(14-9-11-15(22)12-10-14)23-20(26)19-16-7-5-6-8-17(16)21(27)25(24-19)13(2)3/h5-13,18H,4H2,1-3H3,(H,23,26)