(3S)-3-[(7-chloranyl-2-thiophen-3-yl-quinolin-3-yl)methylamino]azepan-2-one

Systemtic Name: (3S)-3-[(7-chloranyl-2-thiophen-3-yl-quinolin-3-yl)methylamino]azepan-2-one Openeye Name: (3S)-3-[[7-chloro-2-(3-thienyl)-3-quinolyl]methylamino]azepan-2-one CAS Name: (3S)-3-[[7-chloro-2-(3-thiophenyl)-3-quinolinyl]methylamino]-2-azepanone IUPAC Name: (3S)-3-[(7-chloro-2-thiophen-3-ylquinolin-3-yl)methylamino]azepan-2-one Traditional Name: (3S)-3-[[7-chloro-2-(3-thienyl)-3-quinolyl]methylamino]azepan-2-one Formula: C20H20ClN3OS MolecularWeight: 385.9103

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NCC2=C(N=C3C=C(C=CC3=C2)Cl)C4=CSC=C4

Isomeric SMILES

C1CCNC(=O)[C@H](C1)NCC2=C(N=C3C=C(C=CC3=C2)Cl)C4=CSC=C4

InChI

InChI=1S/C20H20ClN3OS/c21-16-5-4-13-9-15(11-23-17-3-1-2-7-22-20(17)25)19(24-18(13)10-16)14-6-8-26-12-14/h4-6,8-10,12,17,23H,1-3,7,11H2,(H,22,25)/t17-/m0/s1