2-azanyl-4-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)-6-tert-butyl-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile

Systemtic Name: 2-azanyl-4-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)-6-tert-butyl-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile Openeye Name: 2-amino-4-(4-benzyloxy-3-bromo-5-methoxy-phenyl)-6-tert-butyl-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile CAS Name: 2-amino-4-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-6-tert-butyl-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile IUPAC Name: 2-amino-4-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-6-tert-butyl-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile Traditional Name: 2-amino-4-(4-benzoxy-3-bromo-5-methoxy-phenyl)-6-tert-butyl-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile Formula: C31H31BrN4O2 MolecularWeight: 571.50744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC(=C(C(=C3)Br)OCC4=CC=CC=C4)OC

Isomeric SMILES

CC(C)(C)C1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC(=C(C(=C3)Br)OCC4=CC=CC=C4)OC

InChI

InChI=1S/C31H31BrN4O2/c1-30(2,3)21-10-11-22-23(14-21)27(31(17-34,18-35)29(36)24(22)15-33)20-12-25(32)28(26(13-20)37-4)38-16-19-8-6-5-7-9-19/h5-9,11-13,21,23,27H,10,14,16,36H2,1-4H3