6-hexadecyl-4-(6-methylheptylamino)-3-(3-naphthalen-2-ylpropoxy)-1,2,4-triazin-5-one

Systemtic Name: 6-hexadecyl-4-(6-methylheptylamino)-3-(3-naphthalen-2-ylpropoxy)-1,2,4-triazin-5-one Openeye Name: 6-hexadecyl-4-(6-methylheptylamino)-3-[3-(2-naphthyl)propoxy]-1,2,4-triazin-5-one CAS Name: 6-hexadecyl-4-(6-methylheptylamino)-3-[3-(2-naphthalenyl)propoxy]-1,2,4-triazin-5-one IUPAC Name: 6-hexadecyl-4-(6-methylheptylamino)-3-(3-naphthalen-2-ylpropoxy)-1,2,4-triazin-5-one Traditional Name: 6-cetyl-4-(6-methylheptylamino)-3-[3-(2-naphthyl)propoxy]-1,2,4-triazin-5-one Formula: C40H64N4O2 MolecularWeight: 632.96176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=NN=C(N(C1=O)NCCCCCC(C)C)OCCCC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=NN=C(N(C1=O)NCCCCCC(C)C)OCCCC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C40H64N4O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-28-38-39(45)44(41-31-22-17-18-24-34(2)3)40(43-42-38)46-32-23-25-35-29-30-36-26-20-21-27-37(36)33-35/h20-21,26-27,29-30,33-34,41H,4-19,22-25,28,31-32H2,1-3H3