1-[3-[3-methyl-1-(4-phenylpiperazin-1-yl)cyclohexyl]phenyl]-3-quinolin-3-yl-urea

Systemtic Name: 1-[3-[3-methyl-1-(4-phenylpiperazin-1-yl)cyclohexyl]phenyl]-3-quinolin-3-yl-urea Openeye Name: 1-[3-[3-methyl-1-(4-phenylpiperazin-1-yl)cyclohexyl]phenyl]-3-(3-quinolyl)urea CAS Name: 1-[3-[3-methyl-1-(4-phenyl-1-piperazinyl)cyclohexyl]phenyl]-3-(3-quinolinyl)urea IUPAC Name: 1-[3-[3-methyl-1-(4-phenylpiperazin-1-yl)cyclohexyl]phenyl]-3-quinolin-3-ylurea Traditional Name: 1-[3-[3-methyl-1-(4-phenylpiperazino)cyclohexyl]phenyl]-3-(3-quinolyl)urea Formula: C33H37N5O MolecularWeight: 519.67978

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)(C2=CC(=CC=C2)NC(=O)NC3=CC4=CC=CC=C4N=C3)N5CCN(CC5)C6=CC=CC=C6

Isomeric SMILES

CC1CCCC(C1)(C2=CC(=CC=C2)NC(=O)NC3=CC4=CC=CC=C4N=C3)N5CCN(CC5)C6=CC=CC=C6

InChI

InChI=1S/C33H37N5O/c1-25-9-8-16-33(23-25,38-19-17-37(18-20-38)30-13-3-2-4-14-30)27-11-7-12-28(22-27)35-32(39)36-29-21-26-10-5-6-15-31(26)34-24-29/h2-7,10-15,21-22,24-25H,8-9,16-20,23H2,1H3,(H2,35,36,39)