N-[2-[[(1R,2S)-2-(4-phenylpiperazin-1-yl)cyclohexyl]carbamoyl]phenyl]quinoline-3-carboxamide

Systemtic Name: N-[2-[[(1R,2S)-2-(4-phenylpiperazin-1-yl)cyclohexyl]carbamoyl]phenyl]quinoline-3-carboxamide Openeye Name: N-[2-[[(1R,2S)-2-(4-phenylpiperazin-1-yl)cyclohexyl]carbamoyl]phenyl]quinoline-3-carboxamide CAS Name: N-[2-[oxo-[[(1R,2S)-2-(4-phenyl-1-piperazinyl)cyclohexyl]amino]methyl]phenyl]-3-quinolinecarboxamide IUPAC Name: N-[2-[[(1R,2S)-2-(4-phenylpiperazin-1-yl)cyclohexyl]carbamoyl]phenyl]quinoline-3-carboxamide Traditional Name: N-[2-[[(1R,2S)-2-(4-phenylpiperazino)cyclohexyl]carbamoyl]phenyl]quinoline-3-carboxamide Formula: C33H35N5O2 MolecularWeight: 533.6633

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)NC(=O)C2=CC=CC=C2NC(=O)C3=CC4=CC=CC=C4N=C3)N5CCN(CC5)C6=CC=CC=C6

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)NC(=O)C2=CC=CC=C2NC(=O)C3=CC4=CC=CC=C4N=C3)N5CCN(CC5)C6=CC=CC=C6

InChI

InChI=1S/C33H35N5O2/c39-32(25-22-24-10-4-6-14-28(24)34-23-25)35-29-15-7-5-13-27(29)33(40)36-30-16-8-9-17-31(30)38-20-18-37(19-21-38)26-11-2-1-3-12-26/h1-7,10-15,22-23,30-31H,8-9,16-21H2,(H,35,39)(H,36,40)/t30-,31+/m1/s1