2-[4-[2-(4-chlorophenyl)quinolin-4-yl]carbonyl-1,4-diazepan-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[2-(4-chlorophenyl)quinolin-4-yl]carbonyl-1,4-diazepan-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[2-(4-chlorophenyl)quinoline-4-carbonyl]-1,4-diazepan-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[[2-(4-chlorophenyl)-4-quinolinyl]-oxomethyl]-1,4-diazepan-1-yl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[2-(4-chlorophenyl)quinoline-4-carbonyl]-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[2-(4-chlorophenyl)quinoline-4-carbonyl]-1,4-diazepan-1-yl]-1-pyrrolidino-ethanone Formula: C27H29ClN4O2 MolecularWeight: 476.99776

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CN2CCCN(CC2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CCN(C1)C(=O)CN2CCCN(CC2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C27H29ClN4O2/c28-21-10-8-20(9-11-21)25-18-23(22-6-1-2-7-24(22)29-25)27(34)32-15-5-12-30(16-17-32)19-26(33)31-13-3-4-14-31/h1-2,6-11,18H,3-5,12-17,19H2