1-hexyl-1-[1-[3-(3-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]ethyl]-3-(phenylmethyl)urea

Systemtic Name: 1-hexyl-1-[1-[3-(3-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]ethyl]-3-(phenylmethyl)urea Openeye Name: 3-benzyl-1-hexyl-1-[1-[3-(m-tolyl)-4-oxo-quinazolin-2-yl]ethyl]urea CAS Name: 1-hexyl-1-[1-[3-(3-methylphenyl)-4-oxo-2-quinazolinyl]ethyl]-3-(phenylmethyl)urea IUPAC Name: 3-benzyl-1-hexyl-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea Traditional Name: 3-benzyl-1-hexyl-1-[1-[4-keto-3-(m-tolyl)quinazolin-2-yl]ethyl]urea Formula: C31H36N4O2 MolecularWeight: 496.64314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(C(C)C1=NC2=CC=CC=C2C(=O)N1C3=CC=CC(=C3)C)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CCCCCCN(C(C)C1=NC2=CC=CC=C2C(=O)N1C3=CC=CC(=C3)C)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C31H36N4O2/c1-4-5-6-12-20-34(31(37)32-22-25-15-8-7-9-16-25)24(3)29-33-28-19-11-10-18-27(28)30(36)35(29)26-17-13-14-23(2)21-26/h7-11,13-19,21,24H,4-6,12,20,22H2,1-3H3,(H,32,37)