3-[4-[5-(dicyclohexylamino)pentyl]-3-oxidanylidene-1,4-benzoxazin-2-yl]benzenecarbonitrile

Systemtic Name: 3-[4-[5-(dicyclohexylamino)pentyl]-3-oxidanylidene-1,4-benzoxazin-2-yl]benzenecarbonitrile Openeye Name: 3-[4-[5-(dicyclohexylamino)pentyl]-3-oxo-1,4-benzoxazin-2-yl]benzonitrile CAS Name: 3-[4-[5-(dicyclohexylamino)pentyl]-3-oxo-1,4-benzoxazin-2-yl]benzonitrile IUPAC Name: 3-[4-[5-(dicyclohexylamino)pentyl]-3-oxo-1,4-benzoxazin-2-yl]benzonitrile Traditional Name: 3-[4-[5-(dicyclohexylamino)pentyl]-3-keto-1,4-benzoxazin-2-yl]benzonitrile Formula: C32H41N3O2 MolecularWeight: 499.68684

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(CCCCCN2C3=CC=CC=C3OC(C2=O)C4=CC=CC(=C4)C#N)C5CCCCC5

Isomeric SMILES

C1CCC(CC1)N(CCCCCN2C3=CC=CC=C3OC(C2=O)C4=CC=CC(=C4)C#N)C5CCCCC5

InChI

InChI=1S/C32H41N3O2/c33-24-25-13-12-14-26(23-25)31-32(36)35(29-19-8-9-20-30(29)37-31)22-11-3-10-21-34(27-15-4-1-5-16-27)28-17-6-2-7-18-28/h8-9,12-14,19-20,23,27-28,31H,1-7,10-11,15-18,21-22H2