5-hexan-2-yl-6-methyl-2-phenyl-1,3-diazinan-4-one; N-[(E)-(phenylmethylidene)amino]methanamide

Systemtic Name: 5-hexan-2-yl-6-methyl-2-phenyl-1,3-diazinan-4-one; N-[(E)-(phenylmethylidene)amino]methanamide Openeye Name: N-[(E)-benzylideneamino]formamide; 6-methyl-5-(1-methylpentyl)-2-phenyl-hexahydropyrimidin-4-one CAS Name: 5-hexan-2-yl-6-methyl-2-phenyl-1,3-diazinan-4-one; N-[(E)-(phenylmethylene)amino]formamide IUPAC Name: N-[(E)-benzylideneamino]formamide; 5-hexan-2-yl-6-methyl-2-phenyl-1,3-diazinan-4-one Traditional Name: N-[(E)-benzalamino]formamide; 6-methyl-5-(1-methylpentyl)-2-phenyl-hexahydropyrimidin-4-one Formula: C25H34N4O2 MolecularWeight: 422.56306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)C1C(NC(NC1=O)C2=CC=CC=C2)C.C1=CC=C(C=C1)C=NNC=O

Isomeric SMILES

CCCCC(C)C1C(NC(NC1=O)C2=CC=CC=C2)C.C1=CC=C(C=C1)/C=N/NC=O

InChI

InChI=1S/C17H26N2O.C8H8N2O/c1-4-5-9-12(2)15-13(3)18-16(19-17(15)20)14-10-7-6-8-11-14;11-7-10-9-6-8-4-2-1-3-5-8/h6-8,10-13,15-16,18H,4-5,9H2,1-3H3,(H,19,20);1-7H,(H,10,11)/b;9-6+