6-methyl-2-(1-methylpyrrol-2-yl)-N-[(3S)-2-oxidanylideneazepan-3-yl]quinoline-4-carboxamide

Systemtic Name: 6-methyl-2-(1-methylpyrrol-2-yl)-N-[(3S)-2-oxidanylideneazepan-3-yl]quinoline-4-carboxamide Openeye Name: 6-methyl-2-(1-methylpyrrol-2-yl)-N-[(3S)-2-oxoazepan-3-yl]quinoline-4-carboxamide CAS Name: 6-methyl-2-(1-methyl-2-pyrrolyl)-N-[(3S)-2-oxo-3-azepanyl]-4-quinolinecarboxamide IUPAC Name: 6-methyl-2-(1-methylpyrrol-2-yl)-N-[(3S)-2-oxoazepan-3-yl]quinoline-4-carboxamide Traditional Name: N-[(3S)-2-ketoazepan-3-yl]-6-methyl-2-(1-methylpyrrol-2-yl)cinchoninamide Formula: C22H24N4O2 MolecularWeight: 376.45156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)NC3CCCCNC3=O)C4=CC=CN4C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)N[C@H]3CCCCNC3=O)C4=CC=CN4C

InChI

InChI=1S/C22H24N4O2/c1-14-8-9-17-15(12-14)16(13-19(24-17)20-7-5-11-26(20)2)21(27)25-18-6-3-4-10-23-22(18)28/h5,7-9,11-13,18H,3-4,6,10H2,1-2H3,(H,23,28)(H,25,27)/t18-/m0/s1