3-(methylamino)-7-phenyl-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one

Systemtic Name: 3-(methylamino)-7-phenyl-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one Openeye Name: 3-(methylamino)-7-phenyl-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one CAS Name: 3-(methylamino)-7-phenyl-1-(1,3,5-triazin-2-ylmethyl)-2-azepanone IUPAC Name: 3-(methylamino)-7-phenyl-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one Traditional Name: 3-(methylamino)-7-phenyl-1-(s-triazin-2-ylmethyl)azepan-2-one Formula: C17H21N5O MolecularWeight: 311.38154

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Descriptors Computed from Structure

Canonical SMILES:

CNC1CCCC(N(C1=O)CC2=NC=NC=N2)C3=CC=CC=C3

Isomeric SMILES

CNC1CCCC(N(C1=O)CC2=NC=NC=N2)C3=CC=CC=C3

InChI

InChI=1S/C17H21N5O/c1-18-14-8-5-9-15(13-6-3-2-4-7-13)22(17(14)23)10-16-20-11-19-12-21-16/h2-4,6-7,11-12,14-15,18H,5,8-10H2,1H3