N-methyl-4-oxidanylidene-N-[(1-phenylpyrazol-4-yl)methyl]-3-propyl-phthalazine-1-carboxamide

Systemtic Name: N-methyl-4-oxidanylidene-N-[(1-phenylpyrazol-4-yl)methyl]-3-propyl-phthalazine-1-carboxamide Openeye Name: N-methyl-4-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-3-propyl-phthalazine-1-carboxamide CAS Name: N-methyl-4-oxo-N-[(1-phenyl-4-pyrazolyl)methyl]-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-methyl-4-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-3-propylphthalazine-1-carboxamide Traditional Name: 4-keto-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-3-propyl-phthalazine-1-carboxamide Formula: C23H23N5O2 MolecularWeight: 401.46102

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(C)CC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(C)CC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H23N5O2/c1-3-13-27-22(29)20-12-8-7-11-19(20)21(25-27)23(30)26(2)15-17-14-24-28(16-17)18-9-5-4-6-10-18/h4-12,14,16H,3,13,15H2,1-2H3