2-[2-[(2-azanyl-3H-benzimidazol-5-yl)methylcarbamoyl]-1,3,4,5-tetrahydro-2-benzazepin-5-yl]ethanoic acid

Systemtic Name: 2-[2-[(2-azanyl-3H-benzimidazol-5-yl)methylcarbamoyl]-1,3,4,5-tetrahydro-2-benzazepin-5-yl]ethanoic acid Openeye Name: 2-[2-[(2-amino-3H-benzimidazol-5-yl)methylcarbamoyl]-1,3,4,5-tetrahydro-2-benzazepin-5-yl]acetic acid CAS Name: 2-[2-[[(2-amino-3H-benzimidazol-5-yl)methylamino]-oxomethyl]-1,3,4,5-tetrahydro-2-benzazepin-5-yl]acetic acid IUPAC Name: 2-[2-[(2-amino-3H-benzimidazol-5-yl)methylcarbamoyl]-1,3,4,5-tetrahydro-2-benzazepin-5-yl]acetic acid Traditional Name: 2-[2-[(2-amino-3H-benzimidazol-5-yl)methylcarbamoyl]-1,3,4,5-tetrahydro-2-benzazepin-5-yl]acetic acid Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C2C1CC(=O)O)C(=O)NCC3=CC4=C(C=C3)N=C(N4)N

Isomeric SMILES

C1CN(CC2=CC=CC=C2C1CC(=O)O)C(=O)NCC3=CC4=C(C=C3)N=C(N4)N

InChI

InChI=1S/C21H23N5O3/c22-20-24-17-6-5-13(9-18(17)25-20)11-23-21(29)26-8-7-14(10-19(27)28)16-4-2-1-3-15(16)12-26/h1-6,9,14H,7-8,10-12H2,(H,23,29)(H,27,28)(H3,22,24,25)