N-(2-azanylethyl)-N-[[7-chloranyl-4-oxidanylidene-3-(phenylmethyl)phthalazin-1-yl]methyl]benzamide

Systemtic Name: N-(2-azanylethyl)-N-[[7-chloranyl-4-oxidanylidene-3-(phenylmethyl)phthalazin-1-yl]methyl]benzamide Openeye Name: N-(2-aminoethyl)-N-[(3-benzyl-7-chloro-4-oxo-phthalazin-1-yl)methyl]benzamide CAS Name: N-(2-aminoethyl)-N-[[7-chloro-4-oxo-3-(phenylmethyl)-1-phthalazinyl]methyl]benzamide IUPAC Name: N-(2-aminoethyl)-N-[(3-benzyl-7-chloro-4-oxophthalazin-1-yl)methyl]benzamide Traditional Name: N-(2-aminoethyl)-N-[(3-benzyl-7-chloro-4-keto-phthalazin-1-yl)methyl]benzamide Formula: C25H23ClN4O2 MolecularWeight: 446.92872

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)Cl)C(=N2)CN(CCN)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)Cl)C(=N2)CN(CCN)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H23ClN4O2/c26-20-11-12-21-22(15-20)23(28-30(25(21)32)16-18-7-3-1-4-8-18)17-29(14-13-27)24(31)19-9-5-2-6-10-19/h1-12,15H,13-14,16-17,27H2