2-ethyl-1-[4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]butan-1-one

Systemtic Name: 2-ethyl-1-[4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]butan-1-one Openeye Name: 2-ethyl-1-[4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]butan-1-one CAS Name: 2-ethyl-1-[4-(3-phenyl-2-quinoxalinyl)-1,4-diazepan-1-yl]-1-butanone IUPAC Name: 2-ethyl-1-[4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]butan-1-one Traditional Name: 2-ethyl-1-[4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]butan-1-one Formula: C25H30N4O MolecularWeight: 402.5319

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)N1CCCN(CC1)C2=NC3=CC=CC=C3N=C2C4=CC=CC=C4

Isomeric SMILES

CCC(CC)C(=O)N1CCCN(CC1)C2=NC3=CC=CC=C3N=C2C4=CC=CC=C4

InChI

InChI=1S/C25H30N4O/c1-3-19(4-2)25(30)29-16-10-15-28(17-18-29)24-23(20-11-6-5-7-12-20)26-21-13-8-9-14-22(21)27-24/h5-9,11-14,19H,3-4,10,15-18H2,1-2H3