4-(butylamino)-2H-phthalazin-1-one; 3-phenoxybicyclo[2.2.0]hexa-1(4),2,5-triene

Systemtic Name: 4-(butylamino)-2H-phthalazin-1-one; 3-phenoxybicyclo[2.2.0]hexa-1(4),2,5-triene Openeye Name: 4-(butylamino)-2H-phthalazin-1-one; 3-phenoxybicyclo[2.2.0]hexa-1(4),2,5-triene CAS Name: 4-(butylamino)-2H-phthalazin-1-one; 3-phenoxybicyclo[2.2.0]hexa-1(4),2,5-triene IUPAC Name: 4-(butylamino)-2H-phthalazin-1-one; 3-phenoxybicyclo[2.2.0]hexa-1(4),2,5-triene Traditional Name: 4-(butylamino)-2H-phthalazin-1-one; 3-phenoxybicyclo[2.2.0]hexa-1(4),2,5-triene Formula: C24H23N3O2 MolecularWeight: 385.45832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NNC(=O)C2=CC=CC=C21.C1=CC=C(C=C1)OC2=CC3=C2C=C3

Isomeric SMILES

CCCCNC1=NNC(=O)C2=CC=CC=C21.C1=CC=C(C=C1)OC2=CC3=C2C=C3

InChI

InChI=1S/C12H15N3O.C12H8O/c1-2-3-8-13-11-9-6-4-5-7-10(9)12(16)15-14-11;1-2-4-10(5-3-1)13-12-8-9-6-7-11(9)12/h4-7H,2-3,8H2,1H3,(H,13,14)(H,15,16);1-8H