cyclohexyl 4-[[4-methyl-5-(naphthalen-1-ylmethyl)-6-oxidanylidene-1-(phenylmethyl)-1,3-diazinan-2-yl]amino]benzoate

Systemtic Name: cyclohexyl 4-[[4-methyl-5-(naphthalen-1-ylmethyl)-6-oxidanylidene-1-(phenylmethyl)-1,3-diazinan-2-yl]amino]benzoate Openeye Name: cyclohexyl 4-[[1-benzyl-4-methyl-5-(1-naphthylmethyl)-6-oxo-hexahydropyrimidin-2-yl]amino]benzoate CAS Name: 4-[[4-methyl-5-(1-naphthalenylmethyl)-6-oxo-1-(phenylmethyl)-1,3-diazinan-2-yl]amino]benzoic acid cyclohexyl ester IUPAC Name: cyclohexyl 4-[[1-benzyl-4-methyl-5-(naphthalen-1-ylmethyl)-6-oxo-1,3-diazinan-2-yl]amino]benzoate Traditional Name: 4-[[1-benzyl-6-keto-4-methyl-5-(1-naphthylmethyl)hexahydropyrimidin-2-yl]amino]benzoic acid cyclohexyl ester Formula: C36H39N3O3 MolecularWeight: 561.71316

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)N(C(N1)NC2=CC=C(C=C2)C(=O)OC3CCCCC3)CC4=CC=CC=C4)CC5=CC=CC6=CC=CC=C65

Isomeric SMILES

CC1C(C(=O)N(C(N1)NC2=CC=C(C=C2)C(=O)OC3CCCCC3)CC4=CC=CC=C4)CC5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C36H39N3O3/c1-25-33(23-29-15-10-14-27-13-8-9-18-32(27)29)34(40)39(24-26-11-4-2-5-12-26)36(37-25)38-30-21-19-28(20-22-30)35(41)42-31-16-6-3-7-17-31/h2,4-5,8-15,18-22,25,31,33,36-38H,3,6-7,16-17,23-24H2,1H3