2-(2-chlorophenyl)-6-methyl-N-[(3S)-2-oxidanylideneazepan-3-yl]quinoline-4-carboxamide

Systemtic Name: 2-(2-chlorophenyl)-6-methyl-N-[(3S)-2-oxidanylideneazepan-3-yl]quinoline-4-carboxamide Openeye Name: 2-(2-chlorophenyl)-6-methyl-N-[(3S)-2-oxoazepan-3-yl]quinoline-4-carboxamide CAS Name: 2-(2-chlorophenyl)-6-methyl-N-[(3S)-2-oxo-3-azepanyl]-4-quinolinecarboxamide IUPAC Name: 2-(2-chlorophenyl)-6-methyl-N-[(3S)-2-oxoazepan-3-yl]quinoline-4-carboxamide Traditional Name: 2-(2-chlorophenyl)-N-[(3S)-2-ketoazepan-3-yl]-6-methyl-cinchoninamide Formula: C23H22ClN3O2 MolecularWeight: 407.89268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)NC3CCCCNC3=O)C4=CC=CC=C4Cl

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)N[C@H]3CCCCNC3=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C23H22ClN3O2/c1-14-9-10-19-16(12-14)17(13-21(26-19)15-6-2-3-7-18(15)24)22(28)27-20-8-4-5-11-25-23(20)29/h2-3,6-7,9-10,12-13,20H,4-5,8,11H2,1H3,(H,25,29)(H,27,28)/t20-/m0/s1