3-[1-hexyl-8-methoxy-7-(2-methoxyphenyl)-2-oxidanylidene-3H-1,4-benzodiazepin-5-yl]benzenecarbonitrile

Systemtic Name: 3-[1-hexyl-8-methoxy-7-(2-methoxyphenyl)-2-oxidanylidene-3H-1,4-benzodiazepin-5-yl]benzenecarbonitrile Openeye Name: 3-[1-hexyl-8-methoxy-7-(2-methoxyphenyl)-2-oxo-3H-1,4-benzodiazepin-5-yl]benzonitrile CAS Name: 3-[1-hexyl-8-methoxy-7-(2-methoxyphenyl)-2-oxo-3H-1,4-benzodiazepin-5-yl]benzonitrile IUPAC Name: 3-[1-hexyl-8-methoxy-7-(2-methoxyphenyl)-2-oxo-3H-1,4-benzodiazepin-5-yl]benzonitrile Traditional Name: 3-[1-hexyl-2-keto-8-methoxy-7-(2-methoxyphenyl)-3H-1,4-benzodiazepin-5-yl]benzonitrile Formula: C30H31N3O3 MolecularWeight: 481.58544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)CN=C(C2=C1C=C(C(=C2)C3=CC=CC=C3OC)OC)C4=CC=CC(=C4)C#N

Isomeric SMILES

CCCCCCN1C(=O)CN=C(C2=C1C=C(C(=C2)C3=CC=CC=C3OC)OC)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C30H31N3O3/c1-4-5-6-9-15-33-26-18-28(36-3)24(23-13-7-8-14-27(23)35-2)17-25(26)30(32-20-29(33)34)22-12-10-11-21(16-22)19-31/h7-8,10-14,16-18H,4-6,9,15,20H2,1-3H3