(2E)-4-[bis(1-chloroethyl)amino]-2-(phenylmethylidene)-3H-inden-1-one

Systemtic Name: (2E)-4-[bis(1-chloroethyl)amino]-2-(phenylmethylidene)-3H-inden-1-one Openeye Name: (2E)-2-benzylidene-4-[bis(1-chloroethyl)amino]indan-1-one CAS Name: (2E)-4-[bis(1-chloroethyl)amino]-2-(phenylmethylene)-3H-inden-1-one IUPAC Name: (2E)-2-benzylidene-4-[bis(1-chloroethyl)amino]-3H-inden-1-one Traditional Name: (2E)-2-benzal-4-[bis(1-chloroethyl)amino]indan-1-one Formula: C20H19Cl2NO MolecularWeight: 360.27696

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Descriptors Computed from Structure

Canonical SMILES:

CC(N(C1=CC=CC2=C1CC(=CC3=CC=CC=C3)C2=O)C(C)Cl)Cl

Isomeric SMILES

CC(N(C1=CC=CC2=C1C/C(=C\C3=CC=CC=C3)/C2=O)C(C)Cl)Cl

InChI

InChI=1S/C20H19Cl2NO/c1-13(21)23(14(2)22)19-10-6-9-17-18(19)12-16(20(17)24)11-15-7-4-3-5-8-15/h3-11,13-14H,12H2,1-2H3/b16-11+