ditert-butyl 2-[4-(azepan-1-yl)-6-(diphenylamino)-1,3,5-triazin-2-yl]propanedioate

Systemtic Name: ditert-butyl 2-[4-(azepan-1-yl)-6-(diphenylamino)-1,3,5-triazin-2-yl]propanedioate Openeye Name: ditert-butyl 2-[4-(azepan-1-yl)-6-(N-phenylanilino)-1,3,5-triazin-2-yl]propanedioate CAS Name: 2-[4-(1-azepanyl)-6-(N-phenylanilino)-1,3,5-triazin-2-yl]propanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-[4-(azepan-1-yl)-6-(N-phenylanilino)-1,3,5-triazin-2-yl]propanedioate Traditional Name: 2-[4-(azepan-1-yl)-6-(N-phenylanilino)-s-triazin-2-yl]malonic acid ditert-butyl ester Formula: C32H41N5O4 MolecularWeight: 559.69904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C1=NC(=NC(=N1)N(C2=CC=CC=C2)C3=CC=CC=C3)N4CCCCCC4)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)C(C1=NC(=NC(=N1)N(C2=CC=CC=C2)C3=CC=CC=C3)N4CCCCCC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C32H41N5O4/c1-31(2,3)40-27(38)25(28(39)41-32(4,5)6)26-33-29(36-21-15-7-8-16-22-36)35-30(34-26)37(23-17-11-9-12-18-23)24-19-13-10-14-20-24/h9-14,17-20,25H,7-8,15-16,21-22H2,1-6H3