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

Systemtic Name: 1-(azepan-1-yl)-4-(5-chloranyl-2-quinolin-2-yl-1H-indol-3-yl)butan-1-one Openeye Name: 1-(azepan-1-yl)-4-[5-chloro-2-(2-quinolyl)-1H-indol-3-yl]butan-1-one CAS Name: 1-(1-azepanyl)-4-[5-chloro-2-(2-quinolinyl)-1H-indol-3-yl]-1-butanone IUPAC Name: 1-(azepan-1-yl)-4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)butan-1-one Traditional Name: 1-(azepan-1-yl)-4-[5-chloro-2-(2-quinolyl)-1H-indol-3-yl]butan-1-one Formula: C27H28ClN3O MolecularWeight: 445.98372

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CCCC2=C(NC3=C2C=C(C=C3)Cl)C4=NC5=CC=CC=C5C=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)CCCC2=C(NC3=C2C=C(C=C3)Cl)C4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C27H28ClN3O/c28-20-13-15-24-22(18-20)21(9-7-11-26(32)31-16-5-1-2-6-17-31)27(30-24)25-14-12-19-8-3-4-10-23(19)29-25/h3-4,8,10,12-15,18,30H,1-2,5-7,9,11,16-17H2