tert-butyl 2-[3-(naphthalen-1-ylcarbamoylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[3-(naphthalen-1-ylcarbamoylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethanoate Openeye Name: tert-butyl 2-[3-(1-naphthylcarbamoylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]acetate CAS Name: 2-[3-[[(1-naphthalenylamino)-oxomethyl]amino]-2,3,4,5-tetrahydro-1-benzazepin-1-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-(naphthalen-1-ylcarbamoylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]acetate Traditional Name: 2-[3-(1-naphthylcarbamoylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]acetic acid tert-butyl ester Formula: C27H31N3O3 MolecularWeight: 445.55334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1CC(CCC2=CC=CC=C21)NC(=O)NC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC(C)(C)OC(=O)CN1CC(CCC2=CC=CC=C21)NC(=O)NC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C27H31N3O3/c1-27(2,3)33-25(31)18-30-17-21(16-15-20-10-5-7-14-24(20)30)28-26(32)29-23-13-8-11-19-9-4-6-12-22(19)23/h4-14,21H,15-18H2,1-3H3,(H2,28,29,32)