2-(aziridin-1-yl)-4-(4-chlorophenyl)-1-(4-phenylpiperazin-1-yl)butane-1,4-dione

Systemtic Name: 2-(aziridin-1-yl)-4-(4-chlorophenyl)-1-(4-phenylpiperazin-1-yl)butane-1,4-dione Openeye Name: 2-(aziridin-1-yl)-4-(4-chlorophenyl)-1-(4-phenylpiperazin-1-yl)butane-1,4-dione CAS Name: 2-(1-aziridinyl)-4-(4-chlorophenyl)-1-(4-phenyl-1-piperazinyl)butane-1,4-dione IUPAC Name: 2-(aziridin-1-yl)-4-(4-chlorophenyl)-1-(4-phenylpiperazin-1-yl)butane-1,4-dione Traditional Name: 4-(4-chlorophenyl)-2-ethylenimino-1-(4-phenylpiperazino)butane-1,4-dione Formula: C22H24ClN3O2 MolecularWeight: 397.89786

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C(CC(=O)C3=CC=C(C=C3)Cl)N4CC4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)C(CC(=O)C3=CC=C(C=C3)Cl)N4CC4

InChI

InChI=1S/C22H24ClN3O2/c23-18-8-6-17(7-9-18)21(27)16-20(25-12-13-25)22(28)26-14-10-24(11-15-26)19-4-2-1-3-5-19/h1-9,20H,10-16H2