4-[(4-chlorophenyl)methyl]-2-[1-[(E)-3-phenylprop-2-enoyl]azepan-4-yl]phthalazin-1-one

Systemtic Name: 4-[(4-chlorophenyl)methyl]-2-[1-[(E)-3-phenylprop-2-enoyl]azepan-4-yl]phthalazin-1-one Openeye Name: 4-[(4-chlorophenyl)methyl]-2-[1-[(E)-3-phenylprop-2-enoyl]azepan-4-yl]phthalazin-1-one CAS Name: 4-[(4-chlorophenyl)methyl]-2-[1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-azepanyl]-1-phthalazinone IUPAC Name: 4-[(4-chlorophenyl)methyl]-2-[1-[(E)-3-phenylprop-2-enoyl]azepan-4-yl]phthalazin-1-one Traditional Name: 4-(4-chlorobenzyl)-2-[1-[(E)-3-phenylacryloyl]azepan-4-yl]phthalazin-1-one Formula: C30H28ClN3O2 MolecularWeight: 498.01522

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCN(C1)C(=O)C=CC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C(=N3)CC5=CC=C(C=C5)Cl

Isomeric SMILES

C1CC(CCN(C1)C(=O)/C=C/C2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C(=N3)CC5=CC=C(C=C5)Cl

InChI

InChI=1S/C30H28ClN3O2/c31-24-15-12-23(13-16-24)21-28-26-10-4-5-11-27(26)30(36)34(32-28)25-9-6-19-33(20-18-25)29(35)17-14-22-7-2-1-3-8-22/h1-5,7-8,10-17,25H,6,9,18-21H2/b17-14+