2-[4-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)butanoylamino]methyl]-2,3-dihydro-1H-1-benzazepin-2-yl]ethanoate

Systemtic Name: 2-[4-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)butanoylamino]methyl]-2,3-dihydro-1H-1-benzazepin-2-yl]ethanoate Openeye Name: 2-[4-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)butanoylamino]methyl]-2,3-dihydro-1H-1-benzazepin-2-yl]acetate CAS Name: 2-[4-[[[4-(4,5-dihydro-1H-imidazol-2-ylamino)-1-oxobutyl]amino]methyl]-2,3-dihydro-1H-1-benzazepin-2-yl]acetate IUPAC Name: 2-[4-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)butanoylamino]methyl]-2,3-dihydro-1H-1-benzazepin-2-yl]acetate Traditional Name: 2-[4-[[4-(2-imidazolin-2-ylamino)butanoylamino]methyl]-2,3-dihydro-1H-1-benzazepin-2-yl]acetate Formula: C20H26N5O3- MolecularWeight: 384.45214

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(N1)NCCCC(=O)NCC2=CC3=CC=CC=C3NC(C2)CC(=O)[O-]

Isomeric SMILES

C1CN=C(N1)NCCCC(=O)NCC2=CC3=CC=CC=C3NC(C2)CC(=O)[O-]

InChI

InChI=1S/C20H27N5O3/c26-18(6-3-7-21-20-22-8-9-23-20)24-13-14-10-15-4-1-2-5-17(15)25-16(11-14)12-19(27)28/h1-2,4-5,10,16,25H,3,6-9,11-13H2,(H,24,26)(H,27,28)(H2,21,22,23)/p-1