N-[[4-(aminocarbonylamino)phenyl]methyl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide

Systemtic Name: N-[[4-(aminocarbonylamino)phenyl]methyl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: 4-oxo-3-pentyl-N-[(4-ureidophenyl)methyl]phthalazine-1-carboxamide CAS Name: N-[[4-(carbamoylamino)phenyl]methyl]-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-[[4-(carbamoylamino)phenyl]methyl]-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-4-keto-N-(4-ureidobenzyl)phthalazine-1-carboxamide Formula: C22H25N5O3 MolecularWeight: 407.4656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC=C(C=C3)NC(=O)N

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC=C(C=C3)NC(=O)N

InChI

InChI=1S/C22H25N5O3/c1-2-3-6-13-27-21(29)18-8-5-4-7-17(18)19(26-27)20(28)24-14-15-9-11-16(12-10-15)25-22(23)30/h4-5,7-12H,2-3,6,13-14H2,1H3,(H,24,28)(H3,23,25,30)