1-ethyl-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-6-yl)benzotriazole-5-carboxamide

Systemtic Name: 1-ethyl-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-6-yl)benzotriazole-5-carboxamide Openeye Name: 1-ethyl-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-6-yl)benzotriazole-5-carboxamide CAS Name: 1-ethyl-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-6-yl)-5-benzotriazolecarboxamide IUPAC Name: 1-ethyl-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-6-yl)benzotriazole-5-carboxamide Traditional Name: 1-ethyl-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-6-yl)benzotriazole-5-carboxamide Formula: C23H22N6O MolecularWeight: 398.46038

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)NC3CCC4=NC(=NC=C4C3)C5=CC=CC=C5)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)NC3CCC4=NC(=NC=C4C3)C5=CC=CC=C5)N=N1

InChI

InChI=1S/C23H22N6O/c1-2-29-21-11-8-16(13-20(21)27-28-29)23(30)25-18-9-10-19-17(12-18)14-24-22(26-19)15-6-4-3-5-7-15/h3-8,11,13-14,18H,2,9-10,12H2,1H3,(H,25,30)