1-[3-azanyl-4-(3-methylphenyl)-1-oxidanylidene-2-(oxolan-2-ylmethyl)isoquinolin-7-yl]-3-phenyl-urea

Systemtic Name: 1-[3-azanyl-4-(3-methylphenyl)-1-oxidanylidene-2-(oxolan-2-ylmethyl)isoquinolin-7-yl]-3-phenyl-urea Openeye Name: 1-[3-amino-4-(m-tolyl)-1-oxo-2-(tetrahydrofuran-2-ylmethyl)-7-isoquinolyl]-3-phenyl-urea CAS Name: 1-[3-amino-4-(3-methylphenyl)-1-oxo-2-(2-oxolanylmethyl)-7-isoquinolinyl]-3-phenylurea IUPAC Name: 1-[3-amino-4-(3-methylphenyl)-1-oxo-2-(oxolan-2-ylmethyl)isoquinolin-7-yl]-3-phenylurea Traditional Name: 1-[3-amino-1-keto-4-(m-tolyl)-2-(tetrahydrofurfuryl)-7-isoquinolyl]-3-phenyl-urea Formula: C28H28N4O3 MolecularWeight: 468.54692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=C(N(C(=O)C3=C2C=CC(=C3)NC(=O)NC4=CC=CC=C4)CC5CCCO5)N

Isomeric SMILES

CC1=CC=CC(=C1)C2=C(N(C(=O)C3=C2C=CC(=C3)NC(=O)NC4=CC=CC=C4)CC5CCCO5)N

InChI

InChI=1S/C28H28N4O3/c1-18-7-5-8-19(15-18)25-23-13-12-21(31-28(34)30-20-9-3-2-4-10-20)16-24(23)27(33)32(26(25)29)17-22-11-6-14-35-22/h2-5,7-10,12-13,15-16,22H,6,11,14,17,29H2,1H3,(H2,30,31,34)