1-(2-methylquinolin-4-yl)-3-[2-[4-(4-pyrrol-1-ylphenyl)carbonylpiperazin-1-yl]ethyl]urea

Systemtic Name: 1-(2-methylquinolin-4-yl)-3-[2-[4-(4-pyrrol-1-ylphenyl)carbonylpiperazin-1-yl]ethyl]urea Openeye Name: 1-(2-methyl-4-quinolyl)-3-[2-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]ethyl]urea CAS Name: 1-(2-methyl-4-quinolinyl)-3-[2-[4-[oxo-[4-(1-pyrrolyl)phenyl]methyl]-1-piperazinyl]ethyl]urea IUPAC Name: 1-(2-methylquinolin-4-yl)-3-[2-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]ethyl]urea Traditional Name: 1-(2-methyl-4-quinolyl)-3-[2-[4-(4-pyrrol-1-ylbenzoyl)piperazino]ethyl]urea Formula: C28H30N6O2 MolecularWeight: 482.5768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)NC(=O)NCCN3CCN(CC3)C(=O)C4=CC=C(C=C4)N5C=CC=C5

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)NC(=O)NCCN3CCN(CC3)C(=O)C4=CC=C(C=C4)N5C=CC=C5

InChI

InChI=1S/C28H30N6O2/c1-21-20-26(24-6-2-3-7-25(24)30-21)31-28(36)29-12-15-32-16-18-34(19-17-32)27(35)22-8-10-23(11-9-22)33-13-4-5-14-33/h2-11,13-14,20H,12,15-19H2,1H3,(H2,29,30,31,36)