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

Systemtic Name: N-(3-azanylpropyl)-N-[[7-chloranyl-4-oxidanylidene-3-(phenylmethyl)phthalazin-1-yl]methyl]benzamide Openeye Name: N-(3-aminopropyl)-N-[(3-benzyl-7-chloro-4-oxo-phthalazin-1-yl)methyl]benzamide CAS Name: N-(3-aminopropyl)-N-[[7-chloro-4-oxo-3-(phenylmethyl)-1-phthalazinyl]methyl]benzamide IUPAC Name: N-(3-aminopropyl)-N-[(3-benzyl-7-chloro-4-oxophthalazin-1-yl)methyl]benzamide Traditional Name: N-(3-aminopropyl)-N-[(3-benzyl-7-chloro-4-keto-phthalazin-1-yl)methyl]benzamide Formula: C26H25ClN4O2 MolecularWeight: 460.9553

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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(CCCN)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(CCCN)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H25ClN4O2/c27-21-12-13-22-23(16-21)24(29-31(26(22)33)17-19-8-3-1-4-9-19)18-30(15-7-14-28)25(32)20-10-5-2-6-11-20/h1-6,8-13,16H,7,14-15,17-18,28H2