ethyl 3-azanyl-1-methyl-6-(phenylmethyl)-4,5,7,8-tetrahydropyrrolo[2,3-d]azepine-2-carboxylate

Systemtic Name: ethyl 3-azanyl-1-methyl-6-(phenylmethyl)-4,5,7,8-tetrahydropyrrolo[2,3-d]azepine-2-carboxylate Openeye Name: ethyl 3-amino-6-benzyl-1-methyl-4,5,7,8-tetrahydropyrrolo[2,3-d]azepine-2-carboxylate CAS Name: 3-amino-1-methyl-6-(phenylmethyl)-4,5,7,8-tetrahydropyrrolo[2,3-d]azepine-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-amino-6-benzyl-1-methyl-4,5,7,8-tetrahydropyrrolo[2,3-d]azepine-2-carboxylate Traditional Name: 3-amino-6-benzyl-1-methyl-4,5,7,8-tetrahydropyrrol[2,3-d]azepine-2-carboxylic acid ethyl ester Formula: C19H25N3O2 MolecularWeight: 327.4207

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1C)CCN(CC2)CC3=CC=CC=C3)N

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1C)CCN(CC2)CC3=CC=CC=C3)N

InChI

InChI=1S/C19H25N3O2/c1-3-24-19(23)18-17(20)15-9-11-22(12-10-16(15)21(18)2)13-14-7-5-4-6-8-14/h4-8H,3,9-13,20H2,1-2H3