4-[(4-chlorophenyl)methyl]-2-heptan-2-yl-phthalazin-1-one; (phenylmethyl)carbamic acid

Systemtic Name: 4-[(4-chlorophenyl)methyl]-2-heptan-2-yl-phthalazin-1-one; (phenylmethyl)carbamic acid Openeye Name: benzylcarbamic acid; 4-[(4-chlorophenyl)methyl]-2-(1-methylhexyl)phthalazin-1-one CAS Name: 4-[(4-chlorophenyl)methyl]-2-heptan-2-yl-1-phthalazinone; (phenylmethyl)carbamic acid IUPAC Name: benzylcarbamic acid; 4-[(4-chlorophenyl)methyl]-2-heptan-2-ylphthalazin-1-one Traditional Name: benzylcarbamic acid; 4-(4-chlorobenzyl)-2-(1-methylhexyl)phthalazin-1-one Formula: C30H34ClN3O3 MolecularWeight: 520.06226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)N1C(=O)C2=CC=CC=C2C(=N1)CC3=CC=C(C=C3)Cl.C1=CC=C(C=C1)CNC(=O)O

Isomeric SMILES

CCCCCC(C)N1C(=O)C2=CC=CC=C2C(=N1)CC3=CC=C(C=C3)Cl.C1=CC=C(C=C1)CNC(=O)O

InChI

InChI=1S/C22H25ClN2O.C8H9NO2/c1-3-4-5-8-16(2)25-22(26)20-10-7-6-9-19(20)21(24-25)15-17-11-13-18(23)14-12-17;10-8(11)9-6-7-4-2-1-3-5-7/h6-7,9-14,16H,3-5,8,15H2,1-2H3;1-5,9H,6H2,(H,10,11)