N-[(1S)-1-cyclohexylethyl]-3-[[4-(2-dimethylaminoethyl)-3-oxidanylidene-piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxamide

Systemtic Name: N-[(1S)-1-cyclohexylethyl]-3-[[4-(2-dimethylaminoethyl)-3-oxidanylidene-piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxamide Openeye Name: N-[(1S)-1-cyclohexylethyl]-3-[[4-(2-dimethylaminoethyl)-3-oxo-piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxamide CAS Name: N-[(1S)-1-cyclohexylethyl]-3-[[4-(2-dimethylaminoethyl)-3-oxo-1-piperazinyl]methyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-[(1S)-1-cyclohexylethyl]-3-[[4-(2-dimethylaminoethyl)-3-oxopiperazin-1-yl]methyl]-2-phenylquinoline-4-carboxamide Traditional Name: N-[(1S)-1-cyclohexylethyl]-3-[[4-(2-dimethylaminoethyl)-3-keto-piperazino]methyl]-2-phenyl-cinchoninamide Formula: C33H43N5O2 MolecularWeight: 541.72682

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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)CN5CCN(C(=O)C5)CCN(C)C

Isomeric SMILES

C[C@@H](C1CCCCC1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)CN5CCN(C(=O)C5)CCN(C)C

InChI

InChI=1S/C33H43N5O2/c1-24(25-12-6-4-7-13-25)34-33(40)31-27-16-10-11-17-29(27)35-32(26-14-8-5-9-15-26)28(31)22-37-19-21-38(30(39)23-37)20-18-36(2)3/h5,8-11,14-17,24-25H,4,6-7,12-13,18-23H2,1-3H3,(H,34,40)/t24-/m0/s1