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

Systemtic Name: 4-[(4-chlorophenyl)methyl]-2-[1-[(E)-3-phenylprop-2-enyl]azepan-4-yl]phthalazin-1-one Openeye Name: 4-[(4-chlorophenyl)methyl]-2-[1-[(E)-cinnamyl]azepan-4-yl]phthalazin-1-one CAS Name: 4-[(4-chlorophenyl)methyl]-2-[1-[(E)-3-phenylprop-2-enyl]-4-azepanyl]-1-phthalazinone IUPAC Name: 4-[(4-chlorophenyl)methyl]-2-[1-[(E)-3-phenylprop-2-enyl]azepan-4-yl]phthalazin-1-one Traditional Name: 4-(4-chlorobenzyl)-2-[1-[(E)-cinnamyl]azepan-4-yl]phthalazin-1-one Formula: C30H30ClN3O MolecularWeight: 484.0317

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H30ClN3O/c31-25-16-14-24(15-17-25)22-29-27-12-4-5-13-28(27)30(35)34(32-29)26-11-7-20-33(21-18-26)19-6-10-23-8-2-1-3-9-23/h1-6,8-10,12-17,26H,7,11,18-22H2/b10-6+