3-[4-[5-(2,6-dimethylpiperidin-1-yl)pentyl]-3-oxidanylidene-1,4-benzoxazin-2-yl]-4-methoxy-benzenecarbonitrile

Systemtic Name: 3-[4-[5-(2,6-dimethylpiperidin-1-yl)pentyl]-3-oxidanylidene-1,4-benzoxazin-2-yl]-4-methoxy-benzenecarbonitrile Openeye Name: 3-[4-[5-(2,6-dimethyl-1-piperidyl)pentyl]-3-oxo-1,4-benzoxazin-2-yl]-4-methoxy-benzonitrile CAS Name: 3-[4-[5-(2,6-dimethyl-1-piperidinyl)pentyl]-3-oxo-1,4-benzoxazin-2-yl]-4-methoxybenzonitrile IUPAC Name: 3-[4-[5-(2,6-dimethylpiperidin-1-yl)pentyl]-3-oxo-1,4-benzoxazin-2-yl]-4-methoxybenzonitrile Traditional Name: 3-[4-[5-(2,6-dimethylpiperidino)pentyl]-3-keto-1,4-benzoxazin-2-yl]-4-methoxy-benzonitrile Formula: C28H35N3O3 MolecularWeight: 461.5958

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1CCCCCN2C3=CC=CC=C3OC(C2=O)C4=C(C=CC(=C4)C#N)OC)C

Isomeric SMILES

CC1CCCC(N1CCCCCN2C3=CC=CC=C3OC(C2=O)C4=C(C=CC(=C4)C#N)OC)C

InChI

InChI=1S/C28H35N3O3/c1-20-10-9-11-21(2)30(20)16-7-4-8-17-31-24-12-5-6-13-26(24)34-27(28(31)32)23-18-22(19-29)14-15-25(23)33-3/h5-6,12-15,18,20-21,27H,4,7-11,16-17H2,1-3H3