4-[4-[(3S)-3-ethyl-4-(quinoxalin-6-ylmethyl)piperazin-1-yl]-1H-benzimidazol-2-yl]-N,N-dimethyl-aniline

Systemtic Name: 4-[4-[(3S)-3-ethyl-4-(quinoxalin-6-ylmethyl)piperazin-1-yl]-1H-benzimidazol-2-yl]-N,N-dimethyl-aniline Openeye Name: 4-[4-[(3S)-3-ethyl-4-(quinoxalin-6-ylmethyl)piperazin-1-yl]-1H-benzimidazol-2-yl]-N,N-dimethyl-aniline CAS Name: 4-[4-[(3S)-3-ethyl-4-(6-quinoxalinylmethyl)-1-piperazinyl]-1H-benzimidazol-2-yl]-N,N-dimethylaniline IUPAC Name: 4-[4-[(3S)-3-ethyl-4-(quinoxalin-6-ylmethyl)piperazin-1-yl]-1H-benzimidazol-2-yl]-N,N-dimethylaniline Traditional Name: [4-[4-[(3S)-3-ethyl-4-(quinoxalin-6-ylmethyl)piperazino]-1H-benzimidazol-2-yl]phenyl]-dimethyl-amine Formula: C30H33N7 MolecularWeight: 491.62992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CCN1CC2=CC3=NC=CN=C3C=C2)C4=CC=CC5=C4N=C(N5)C6=CC=C(C=C6)N(C)C

Isomeric SMILES

CC[C@H]1CN(CCN1CC2=CC3=NC=CN=C3C=C2)C4=CC=CC5=C4N=C(N5)C6=CC=C(C=C6)N(C)C

InChI

InChI=1S/C30H33N7/c1-4-23-20-37(17-16-36(23)19-21-8-13-25-27(18-21)32-15-14-31-25)28-7-5-6-26-29(28)34-30(33-26)22-9-11-24(12-10-22)35(2)3/h5-15,18,23H,4,16-17,19-20H2,1-3H3,(H,33,34)/t23-/m0/s1