1-(azepan-1-yl)-4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butan-1-one

Systemtic Name: 1-(azepan-1-yl)-4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butan-1-one Openeye Name: 1-(azepan-1-yl)-4-[5-methyl-2-(2-quinolyl)-1H-indol-3-yl]butan-1-one CAS Name: 1-(1-azepanyl)-4-[5-methyl-2-(2-quinolinyl)-1H-indol-3-yl]-1-butanone IUPAC Name: 1-(azepan-1-yl)-4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butan-1-one Traditional Name: 1-(azepan-1-yl)-4-[5-methyl-2-(2-quinolyl)-1H-indol-3-yl]butan-1-one Formula: C28H31N3O MolecularWeight: 425.56524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2CCCC(=O)N3CCCCCC3)C4=NC5=CC=CC=C5C=C4

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2CCCC(=O)N3CCCCCC3)C4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C28H31N3O/c1-20-13-15-25-23(19-20)22(10-8-12-27(32)31-17-6-2-3-7-18-31)28(30-25)26-16-14-21-9-4-5-11-24(21)29-26/h4-5,9,11,13-16,19,30H,2-3,6-8,10,12,17-18H2,1H3