2-[3-[(3R)-3-ethyl-1-methyl-2-oxidanylidene-azocan-3-yl]phenoxy]-4-[2-(3-methylimidazol-4-yl)pyrrolidin-2-yl]benzenecarbonitrile

Systemtic Name: 2-[3-[(3R)-3-ethyl-1-methyl-2-oxidanylidene-azocan-3-yl]phenoxy]-4-[2-(3-methylimidazol-4-yl)pyrrolidin-2-yl]benzenecarbonitrile Openeye Name: 2-[3-[(3R)-3-ethyl-1-methyl-2-oxo-azocan-3-yl]phenoxy]-4-[2-(3-methylimidazol-4-yl)pyrrolidin-2-yl]benzonitrile CAS Name: 2-[3-[(3R)-3-ethyl-1-methyl-2-oxo-3-azocanyl]phenoxy]-4-[2-(3-methyl-4-imidazolyl)-2-pyrrolidinyl]benzonitrile IUPAC Name: 2-[3-[(3R)-3-ethyl-1-methyl-2-oxoazocan-3-yl]phenoxy]-4-[2-(3-methylimidazol-4-yl)pyrrolidin-2-yl]benzonitrile Traditional Name: 2-[3-[(3R)-3-ethyl-2-keto-1-methyl-azocan-3-yl]phenoxy]-4-[2-(3-methylimidazol-4-yl)pyrrolidin-2-yl]benzonitrile Formula: C31H37N5O2 MolecularWeight: 511.65778

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCCCCN(C1=O)C)C2=CC(=CC=C2)OC3=C(C=CC(=C3)C4(CCCN4)C5=CN=CN5C)C#N

Isomeric SMILES

CC[C@@]1(CCCCCN(C1=O)C)C2=CC(=CC=C2)OC3=C(C=CC(=C3)C4(CCCN4)C5=CN=CN5C)C#N

InChI

InChI=1S/C31H37N5O2/c1-4-30(14-6-5-7-17-35(2)29(30)37)24-10-8-11-26(18-24)38-27-19-25(13-12-23(27)20-32)31(15-9-16-34-31)28-21-33-22-36(28)3/h8,10-13,18-19,21-22,34H,4-7,9,14-17H2,1-3H3/t30-,31?/m1/s1