3-[4-(2-ethoxy-1,3,4,5-tetrahydro-2-benzazepin-3-yl)-1-methyl-piperidin-2-yl]benzenecarbonitrile

Systemtic Name: 3-[4-(2-ethoxy-1,3,4,5-tetrahydro-2-benzazepin-3-yl)-1-methyl-piperidin-2-yl]benzenecarbonitrile Openeye Name: 3-[4-(2-ethoxy-1,3,4,5-tetrahydro-2-benzazepin-3-yl)-1-methyl-2-piperidyl]benzonitrile CAS Name: 3-[4-(2-ethoxy-1,3,4,5-tetrahydro-2-benzazepin-3-yl)-1-methyl-2-piperidinyl]benzonitrile IUPAC Name: 3-[4-(2-ethoxy-1,3,4,5-tetrahydro-2-benzazepin-3-yl)-1-methylpiperidin-2-yl]benzonitrile Traditional Name: 3-[4-(2-ethoxy-1,3,4,5-tetrahydro-2-benzazepin-3-yl)-1-methyl-2-piperidyl]benzonitrile Formula: C25H31N3O MolecularWeight: 389.53314

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Descriptors Computed from Structure

Canonical SMILES:

CCON1CC2=CC=CC=C2CCC1C3CCN(C(C3)C4=CC=CC(=C4)C#N)C

Isomeric SMILES

CCON1CC2=CC=CC=C2CCC1C3CCN(C(C3)C4=CC=CC(=C4)C#N)C

InChI

InChI=1S/C25H31N3O/c1-3-29-28-18-23-9-5-4-8-20(23)11-12-24(28)22-13-14-27(2)25(16-22)21-10-6-7-19(15-21)17-26/h4-10,15,22,24-25H,3,11-14,16,18H2,1-2H3