6-azanyl-8-(furan-3-yl)-2-(phenylmethyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile

Systemtic Name: 6-azanyl-8-(furan-3-yl)-2-(phenylmethyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Openeye Name: 6-amino-2-benzyl-8-(3-furyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile CAS Name: 6-amino-8-(3-furanyl)-2-(phenylmethyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile IUPAC Name: 6-amino-2-benzyl-8-(furan-3-yl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Traditional Name: 6-amino-2-benzyl-8-(3-furyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Formula: C23H19N5O MolecularWeight: 381.42986

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C2C(CN1CC3=CC=CC=C3)C(C(C(=C2C#N)N)(C#N)C#N)C4=COC=C4

Isomeric SMILES

C1C=C2C(CN1CC3=CC=CC=C3)C(C(C(=C2C#N)N)(C#N)C#N)C4=COC=C4

InChI

InChI=1S/C23H19N5O/c24-10-19-18-6-8-28(11-16-4-2-1-3-5-16)12-20(18)21(17-7-9-29-13-17)23(14-25,15-26)22(19)27/h1-7,9,13,20-21H,8,11-12,27H2