4-oxidanylidene-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-3-pentyl-phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-3-pentyl-phthalazine-1-carboxamide Openeye Name: 4-oxo-3-pentyl-N-[4-(tetrahydrofuran-2-ylmethylcarbamoylamino)phenyl]phthalazine-1-carboxamide CAS Name: 4-oxo-N-[4-[[oxo-(2-oxolanylmethylamino)methyl]amino]phenyl]-3-pentyl-1-phthalazinecarboxamide IUPAC Name: 4-oxo-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-4-keto-N-[4-(tetrahydrofurfurylcarbamoylamino)phenyl]phthalazine-1-carboxamide Formula: C26H31N5O4 MolecularWeight: 477.55544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)NC(=O)NCC4CCCO4

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)NC(=O)NCC4CCCO4

InChI

InChI=1S/C26H31N5O4/c1-2-3-6-15-31-25(33)22-10-5-4-9-21(22)23(30-31)24(32)28-18-11-13-19(14-12-18)29-26(34)27-17-20-8-7-16-35-20/h4-5,9-14,20H,2-3,6-8,15-17H2,1H3,(H,28,32)(H2,27,29,34)