1-[(2-chloranyl-8-methyl-quinolin-3-yl)methyl]-3-(phenylmethyl)-1-(pyridin-3-ylmethyl)urea

Systemtic Name: 1-[(2-chloranyl-8-methyl-quinolin-3-yl)methyl]-3-(phenylmethyl)-1-(pyridin-3-ylmethyl)urea Openeye Name: 3-benzyl-1-[(2-chloro-8-methyl-3-quinolyl)methyl]-1-(3-pyridylmethyl)urea CAS Name: 1-[(2-chloro-8-methyl-3-quinolinyl)methyl]-3-(phenylmethyl)-1-(3-pyridinylmethyl)urea IUPAC Name: 3-benzyl-1-[(2-chloro-8-methylquinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)urea Traditional Name: 3-benzyl-1-[(2-chloro-8-methyl-3-quinolyl)methyl]-1-(3-pyridylmethyl)urea Formula: C25H23ClN4O MolecularWeight: 430.92932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=CC(=C(N=C12)Cl)CN(CC3=CN=CC=C3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC2=CC(=C(N=C12)Cl)CN(CC3=CN=CC=C3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C25H23ClN4O/c1-18-7-5-11-21-13-22(24(26)29-23(18)21)17-30(16-20-10-6-12-27-14-20)25(31)28-15-19-8-3-2-4-9-19/h2-14H,15-17H2,1H3,(H,28,31)