4-[[[3-(3-chlorophenyl)cyclohept-2-en-1-yl]amino]-(3-methylimidazol-4-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[[[3-(3-chlorophenyl)cyclohept-2-en-1-yl]amino]-(3-methylimidazol-4-yl)methyl]benzenecarbonitrile Openeye Name: 4-[[[3-(3-chlorophenyl)cyclohept-2-en-1-yl]amino]-(3-methylimidazol-4-yl)methyl]benzonitrile CAS Name: 4-[[[3-(3-chlorophenyl)-1-cyclohept-2-enyl]amino]-(3-methyl-4-imidazolyl)methyl]benzonitrile IUPAC Name: 4-[[[3-(3-chlorophenyl)cyclohept-2-en-1-yl]amino]-(3-methylimidazol-4-yl)methyl]benzonitrile Traditional Name: 4-[[[3-(3-chlorophenyl)cyclohept-2-en-1-yl]amino]-(3-methylimidazol-4-yl)methyl]benzonitrile Formula: C25H25ClN4 MolecularWeight: 416.9458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1C(C2=CC=C(C=C2)C#N)NC3CCCCC(=C3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CN1C=NC=C1C(C2=CC=C(C=C2)C#N)NC3CCCCC(=C3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C25H25ClN4/c1-30-17-28-16-24(30)25(19-11-9-18(15-27)10-12-19)29-23-8-3-2-5-21(14-23)20-6-4-7-22(26)13-20/h4,6-7,9-14,16-17,23,25,29H,2-3,5,8H2,1H3