3-butyl-1-[1-[3-(4-ethylphenyl)-4-oxidanylidene-quinazolin-2-yl]propyl]-1-(phenylmethyl)urea

Systemtic Name: 3-butyl-1-[1-[3-(4-ethylphenyl)-4-oxidanylidene-quinazolin-2-yl]propyl]-1-(phenylmethyl)urea Openeye Name: 1-benzyl-3-butyl-1-[1-[3-(4-ethylphenyl)-4-oxo-quinazolin-2-yl]propyl]urea CAS Name: 3-butyl-1-[1-[3-(4-ethylphenyl)-4-oxo-2-quinazolinyl]propyl]-1-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-butyl-1-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]urea Traditional Name: 1-benzyl-3-butyl-1-[1-[3-(4-ethylphenyl)-4-keto-quinazolin-2-yl]propyl]urea Formula: C31H36N4O2 MolecularWeight: 496.64314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N(CC1=CC=CC=C1)C(CC)C2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)CC

Isomeric SMILES

CCCCNC(=O)N(CC1=CC=CC=C1)C(CC)C2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)CC

InChI

InChI=1S/C31H36N4O2/c1-4-7-21-32-31(37)34(22-24-13-9-8-10-14-24)28(6-3)29-33-27-16-12-11-15-26(27)30(36)35(29)25-19-17-23(5-2)18-20-25/h8-20,28H,4-7,21-22H2,1-3H3,(H,32,37)