1-[(6-chloranyl-2-methyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)methyl]-3-[3-(2-diethylaminoethyl)phenyl]urea

Systemtic Name: 1-[(6-chloranyl-2-methyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)methyl]-3-[3-(2-diethylaminoethyl)phenyl]urea Openeye Name: 1-[(6-chloro-2-methyl-1-oxo-4-phenyl-3-isoquinolyl)methyl]-3-[3-(2-diethylaminoethyl)phenyl]urea CAS Name: 1-[(6-chloro-2-methyl-1-oxo-4-phenyl-3-isoquinolinyl)methyl]-3-[3-(2-diethylaminoethyl)phenyl]urea IUPAC Name: 1-[(6-chloro-2-methyl-1-oxo-4-phenylisoquinolin-3-yl)methyl]-3-[3-(2-diethylaminoethyl)phenyl]urea Traditional Name: 1-[(6-chloro-1-keto-2-methyl-4-phenyl-3-isoquinolyl)methyl]-3-[3-(2-diethylaminoethyl)phenyl]urea Formula: C30H33ClN4O2 MolecularWeight: 517.06162

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC1=CC(=CC=C1)NC(=O)NCC2=C(C3=C(C=CC(=C3)Cl)C(=O)N2C)C4=CC=CC=C4

Isomeric SMILES

CCN(CC)CCC1=CC(=CC=C1)NC(=O)NCC2=C(C3=C(C=CC(=C3)Cl)C(=O)N2C)C4=CC=CC=C4

InChI

InChI=1S/C30H33ClN4O2/c1-4-35(5-2)17-16-21-10-9-13-24(18-21)33-30(37)32-20-27-28(22-11-7-6-8-12-22)26-19-23(31)14-15-25(26)29(36)34(27)3/h6-15,18-19H,4-5,16-17,20H2,1-3H3,(H2,32,33,37)