[3-(3,4-dichlorophenyl)-3-[2-[4-[1-(3-methylbut-2-enyl)benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]pyrrolidin-1-yl]-phenyl-methanone

Systemtic Name: [3-(3,4-dichlorophenyl)-3-[2-[4-[1-(3-methylbut-2-enyl)benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]pyrrolidin-1-yl]-phenyl-methanone Openeye Name: [3-(3,4-dichlorophenyl)-3-[2-[4-[1-(3-methylbut-2-enyl)benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]pyrrolidin-1-yl]-phenyl-methanone CAS Name: [3-(3,4-dichlorophenyl)-3-[2-[4-[1-(3-methylbut-2-enyl)-2-benzimidazolyl]-1,4-diazepan-1-yl]ethyl]-1-pyrrolidinyl]-phenylmethanone IUPAC Name: [3-(3,4-dichlorophenyl)-3-[2-[4-[1-(3-methylbut-2-enyl)benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]pyrrolidin-1-yl]-phenylmethanone Traditional Name: [3-(3,4-dichlorophenyl)-3-[2-[4-[1-(3-methylbut-2-enyl)benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]pyrrolidino]-phenyl-methanone Formula: C36H41Cl2N5O MolecularWeight: 630.64964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=CC=CC=C2N=C1N3CCCN(CC3)CCC4(CCN(C4)C(=O)C5=CC=CC=C5)C6=CC(=C(C=C6)Cl)Cl)C

Isomeric SMILES

CC(=CCN1C2=CC=CC=C2N=C1N3CCCN(CC3)CCC4(CCN(C4)C(=O)C5=CC=CC=C5)C6=CC(=C(C=C6)Cl)Cl)C

InChI

InChI=1S/C36H41Cl2N5O/c1-27(2)15-20-43-33-12-7-6-11-32(33)39-35(43)41-19-8-18-40(23-24-41)21-16-36(29-13-14-30(37)31(38)25-29)17-22-42(26-36)34(44)28-9-4-3-5-10-28/h3-7,9-15,25H,8,16-24,26H2,1-2H3