6-azanyl-8-(3-ethoxy-4-propoxy-phenyl)-2-(phenylmethyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile

Systemtic Name: 6-azanyl-8-(3-ethoxy-4-propoxy-phenyl)-2-(phenylmethyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Openeye Name: 6-amino-2-benzyl-8-(3-ethoxy-4-propoxy-phenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile CAS Name: 6-amino-8-(3-ethoxy-4-propoxyphenyl)-2-(phenylmethyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile IUPAC Name: 6-amino-2-benzyl-8-(3-ethoxy-4-propoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Traditional Name: 6-amino-2-benzyl-8-(3-ethoxy-4-propoxy-phenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Formula: C30H31N5O2 MolecularWeight: 493.59944

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C2C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)CC4=CC=CC=C4)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C2C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)CC4=CC=CC=C4)OCC

InChI

InChI=1S/C30H31N5O2/c1-3-14-37-26-11-10-22(15-27(26)36-4-2)28-25-18-35(17-21-8-6-5-7-9-21)13-12-23(25)24(16-31)29(34)30(28,19-32)20-33/h5-12,15,25,28H,3-4,13-14,17-18,34H2,1-2H3