1-(2-methylquinolin-4-yl)-3-[2-[4-(3-phenylpropanoyl)piperazin-1-yl]ethyl]urea

Systemtic Name: 1-(2-methylquinolin-4-yl)-3-[2-[4-(3-phenylpropanoyl)piperazin-1-yl]ethyl]urea Openeye Name: 1-(2-methyl-4-quinolyl)-3-[2-[4-(3-phenylpropanoyl)piperazin-1-yl]ethyl]urea CAS Name: 1-(2-methyl-4-quinolinyl)-3-[2-[4-(1-oxo-3-phenylpropyl)-1-piperazinyl]ethyl]urea IUPAC Name: 1-(2-methylquinolin-4-yl)-3-[2-[4-(3-phenylpropanoyl)piperazin-1-yl]ethyl]urea Traditional Name: 1-[2-(4-hydrocinnamoylpiperazino)ethyl]-3-(2-methyl-4-quinolyl)urea Formula: C26H31N5O2 MolecularWeight: 445.55664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)NC(=O)NCCN3CCN(CC3)C(=O)CCC4=CC=CC=C4

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)NC(=O)NCCN3CCN(CC3)C(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C26H31N5O2/c1-20-19-24(22-9-5-6-10-23(22)28-20)29-26(33)27-13-14-30-15-17-31(18-16-30)25(32)12-11-21-7-3-2-4-8-21/h2-10,19H,11-18H2,1H3,(H2,27,28,29,33)