8-azanyl-4-(benzotriazol-1-yl)-1-ethoxy-3-(4-methoxyphenyl)-6-phenyl-6H-isoquinoline-7,7-dicarbonitrile

Systemtic Name: 8-azanyl-4-(benzotriazol-1-yl)-1-ethoxy-3-(4-methoxyphenyl)-6-phenyl-6H-isoquinoline-7,7-dicarbonitrile Openeye Name: 8-amino-4-(benzotriazol-1-yl)-1-ethoxy-3-(4-methoxyphenyl)-6-phenyl-6H-isoquinoline-7,7-dicarbonitrile CAS Name: 8-amino-4-(1-benzotriazolyl)-1-ethoxy-3-(4-methoxyphenyl)-6-phenyl-6H-isoquinoline-7,7-dicarbonitrile IUPAC Name: 8-amino-4-(benzotriazol-1-yl)-1-ethoxy-3-(4-methoxyphenyl)-6-phenyl-6H-isoquinoline-7,7-dicarbonitrile Traditional Name: 8-amino-4-(benzotriazol-1-yl)-1-ethoxy-3-(4-methoxyphenyl)-6-phenyl-6H-isoquinoline-7,7-dicarbonitrile Formula: C32H25N7O2 MolecularWeight: 539.5866

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(=C(C2=CC(C(C(=C21)N)(C#N)C#N)C3=CC=CC=C3)N4C5=CC=CC=C5N=N4)C6=CC=C(C=C6)OC

Isomeric SMILES

CCOC1=NC(=C(C2=CC(C(C(=C21)N)(C#N)C#N)C3=CC=CC=C3)N4C5=CC=CC=C5N=N4)C6=CC=C(C=C6)OC

InChI

InChI=1S/C32H25N7O2/c1-3-41-31-27-23(17-24(20-9-5-4-6-10-20)32(18-33,19-34)30(27)35)29(39-26-12-8-7-11-25(26)37-38-39)28(36-31)21-13-15-22(40-2)16-14-21/h4-17,24H,3,35H2,1-2H3