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

Systemtic Name: N-[(1S)-1-cyclohexylethyl]-3-[[3-oxidanylidene-4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxamide Openeye Name: N-[(1S)-1-cyclohexylethyl]-3-[[3-oxo-4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxamide CAS Name: N-[(1S)-1-cyclohexylethyl]-3-[[3-oxo-4-[2-(1-pyrrolidinyl)ethyl]-1-piperazinyl]methyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-[(1S)-1-cyclohexylethyl]-3-[[3-oxo-4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]-2-phenylquinoline-4-carboxamide Traditional Name: N-[(1S)-1-cyclohexylethyl]-3-[[3-keto-4-(2-pyrrolidinoethyl)piperazino]methyl]-2-phenyl-cinchoninamide Formula: C35H45N5O2 MolecularWeight: 567.7641

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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)CCN6CCCC6

Isomeric SMILES

C[C@@H](C1CCCCC1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)CN5CCN(C(=O)C5)CCN6CCCC6

InChI

InChI=1S/C35H45N5O2/c1-26(27-12-4-2-5-13-27)36-35(42)33-29-16-8-9-17-31(29)37-34(28-14-6-3-7-15-28)30(33)24-39-21-23-40(32(41)25-39)22-20-38-18-10-11-19-38/h3,6-9,14-17,26-27H,2,4-5,10-13,18-25H2,1H3,(H,36,42)/t26-/m0/s1