N-[(1S)-1-cyclohexylethyl]-3-(dimethylaminomethyl)-2-phenyl-quinoline-4-carboxamide

Systemtic Name: N-[(1S)-1-cyclohexylethyl]-3-(dimethylaminomethyl)-2-phenyl-quinoline-4-carboxamide Openeye Name: N-[(1S)-1-cyclohexylethyl]-3-(dimethylaminomethyl)-2-phenyl-quinoline-4-carboxamide CAS Name: N-[(1S)-1-cyclohexylethyl]-3-(dimethylaminomethyl)-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-[(1S)-1-cyclohexylethyl]-3-(dimethylaminomethyl)-2-phenylquinoline-4-carboxamide Traditional Name: N-[(1S)-1-cyclohexylethyl]-3-(dimethylaminomethyl)-2-phenyl-cinchoninamide Formula: C27H33N3O MolecularWeight: 415.57042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCCC1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)CN(C)C

Isomeric SMILES

C[C@@H](C1CCCCC1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)CN(C)C

InChI

InChI=1S/C27H33N3O/c1-19(20-12-6-4-7-13-20)28-27(31)25-22-16-10-11-17-24(22)29-26(23(25)18-30(2)3)21-14-8-5-9-15-21/h5,8-11,14-17,19-20H,4,6-7,12-13,18H2,1-3H3,(H,28,31)/t19-/m0/s1