N-[5-methyl-2-oxidanylidene-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)hexan-3-yl]-2-(3-phenylpropanoylamino)cyclohexane-1-carboxamide

Systemtic Name: N-[5-methyl-2-oxidanylidene-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)hexan-3-yl]-2-(3-phenylpropanoylamino)cyclohexane-1-carboxamide Openeye Name: N-[3-methyl-1-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)acetyl]butyl]-2-(3-phenylpropanoylamino)cyclohexanecarboxamide CAS Name: N-[5-methyl-2-oxo-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)hexan-3-yl]-2-[(1-oxo-3-phenylpropyl)amino]-1-cyclohexanecarboxamide IUPAC Name: N-[5-methyl-2-oxo-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)hexan-3-yl]-2-(3-phenylpropanoylamino)cyclohexane-1-carboxamide Traditional Name: 2-(hydrocinnamoylamino)-N-[3-methyl-1-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)acetyl]butyl]cyclohexanecarboxamide Formula: C33H45N3O3 MolecularWeight: 531.7287

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)CN1CCCC2=CC=CC=C2C1)NC(=O)C3CCCCC3NC(=O)CCC4=CC=CC=C4

Isomeric SMILES

CC(C)CC(C(=O)CN1CCCC2=CC=CC=C2C1)NC(=O)C3CCCCC3NC(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C33H45N3O3/c1-24(2)21-30(31(37)23-36-20-10-15-26-13-6-7-14-27(26)22-36)35-33(39)28-16-8-9-17-29(28)34-32(38)19-18-25-11-4-3-5-12-25/h3-7,11-14,24,28-30H,8-10,15-23H2,1-2H3,(H,34,38)(H,35,39)