3-azanyl-1-(2,5-diethoxyphenyl)-1,6,7,8,9,9a-hexahydrobenzo[7]annulene-2,2,4-tricarbonitrile

Systemtic Name: 3-azanyl-1-(2,5-diethoxyphenyl)-1,6,7,8,9,9a-hexahydrobenzo[7]annulene-2,2,4-tricarbonitrile Openeye Name: 3-amino-1-(2,5-diethoxyphenyl)-1,6,7,8,9,9a-hexahydrobenzo[7]annulene-2,2,4-tricarbonitrile CAS Name: 3-amino-1-(2,5-diethoxyphenyl)-1,6,7,8,9,9a-hexahydrobenzo[7]annulene-2,2,4-tricarbonitrile IUPAC Name: 3-amino-1-(2,5-diethoxyphenyl)-1,6,7,8,9,9a-hexahydrobenzo[7]annulene-2,2,4-tricarbonitrile Traditional Name: 3-amino-1-(2,5-diethoxyphenyl)-1,6,7,8,9,9a-hexahydrobenzocycloheptene-2,2,4-tricarbonitrile Formula: C24H26N4O2 MolecularWeight: 402.48884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)OCC)C2C3CCCCC=C3C(=C(C2(C#N)C#N)N)C#N

Isomeric SMILES

CCOC1=CC(=C(C=C1)OCC)C2C3CCCCC=C3C(=C(C2(C#N)C#N)N)C#N

InChI

InChI=1S/C24H26N4O2/c1-3-29-16-10-11-21(30-4-2)19(12-16)22-18-9-7-5-6-8-17(18)20(13-25)23(28)24(22,14-26)15-27/h8,10-12,18,22H,3-7,9,28H2,1-2H3