N-[(3R)-1-(2-azanyl-2-oxidanylidene-ethyl)-2-oxidanylidene-azepan-3-yl]-4-(7-chloranylquinolin-4-yl)piperazine-1-carboxamide

Systemtic Name: N-[(3R)-1-(2-azanyl-2-oxidanylidene-ethyl)-2-oxidanylidene-azepan-3-yl]-4-(7-chloranylquinolin-4-yl)piperazine-1-carboxamide Openeye Name: N-[(3R)-1-(2-amino-2-oxo-ethyl)-2-oxo-azepan-3-yl]-4-(7-chloro-4-quinolyl)piperazine-1-carboxamide CAS Name: N-[(3R)-1-(2-amino-2-oxoethyl)-2-oxo-3-azepanyl]-4-(7-chloro-4-quinolinyl)-1-piperazinecarboxamide IUPAC Name: N-[(3R)-1-(2-amino-2-oxoethyl)-2-oxoazepan-3-yl]-4-(7-chloroquinolin-4-yl)piperazine-1-carboxamide Traditional Name: N-[(3R)-1-(2-amino-2-keto-ethyl)-2-keto-azepan-3-yl]-4-(7-chloro-4-quinolyl)piperazine-1-carboxamide Formula: C22H27ClN6O3 MolecularWeight: 458.94118

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)NC(=O)N2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl)CC(=O)N

Isomeric SMILES

C1CCN(C(=O)[C@@H](C1)NC(=O)N2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl)CC(=O)N

InChI

InChI=1S/C22H27ClN6O3/c23-15-4-5-16-18(13-15)25-7-6-19(16)27-9-11-28(12-10-27)22(32)26-17-3-1-2-8-29(21(17)31)14-20(24)30/h4-7,13,17H,1-3,8-12,14H2,(H2,24,30)(H,26,32)/t17-/m1/s1