4-[4,5-bis(4-chlorophenyl)-1-(3-oxidanylidenepiperazin-1-yl)carbonyl-4,5-dihydroimidazol-2-yl]-3-ethoxy-benzenecarbonitrile

Systemtic Name: 4-[4,5-bis(4-chlorophenyl)-1-(3-oxidanylidenepiperazin-1-yl)carbonyl-4,5-dihydroimidazol-2-yl]-3-ethoxy-benzenecarbonitrile Openeye Name: 4-[4,5-bis(4-chlorophenyl)-1-(3-oxopiperazine-1-carbonyl)-4,5-dihydroimidazol-2-yl]-3-ethoxy-benzonitrile CAS Name: 4-[4,5-bis(4-chlorophenyl)-1-[oxo-(3-oxo-1-piperazinyl)methyl]-4,5-dihydroimidazol-2-yl]-3-ethoxybenzonitrile IUPAC Name: 4-[4,5-bis(4-chlorophenyl)-1-(3-oxopiperazine-1-carbonyl)-4,5-dihydroimidazol-2-yl]-3-ethoxybenzonitrile Traditional Name: 4-[4,5-bis(4-chlorophenyl)-1-(3-ketopiperazine-1-carbonyl)-2-imidazolin-2-yl]-3-ethoxy-benzonitrile Formula: C29H25Cl2N5O3 MolecularWeight: 562.4465

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C#N)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl

Isomeric SMILES

CCOC1=C(C=CC(=C1)C#N)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C29H25Cl2N5O3/c1-2-39-24-15-18(16-32)3-12-23(24)28-34-26(19-4-8-21(30)9-5-19)27(20-6-10-22(31)11-7-20)36(28)29(38)35-14-13-33-25(37)17-35/h3-12,15,26-27H,2,13-14,17H2,1H3,(H,33,37)