4-(benzotriazol-1-ylmethyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]benzamide

Systemtic Name: 4-(benzotriazol-1-ylmethyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]benzamide Openeye Name: 4-(benzotriazol-1-ylmethyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]benzamide CAS Name: 4-(1-benzotriazolylmethyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]benzamide IUPAC Name: 4-(benzotriazol-1-ylmethyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]benzamide Traditional Name: 4-(benzotriazol-1-ylmethyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]benzamide Formula: C25H25N5O MolecularWeight: 411.4989

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CCNC(=O)C3=CC=C(C=C3)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CCNC(=O)C3=CC=C(C=C3)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C25H25N5O/c31-25(26-14-16-29-15-13-20-5-1-2-6-22(20)18-29)21-11-9-19(10-12-21)17-30-24-8-4-3-7-23(24)27-28-30/h1-12H,13-18H2,(H,26,31)