ethyl N-(5-cyclohexa-1,5-dien-1-yl-1H-1,3-benzodiazepin-2-yl)carbamate

Systemtic Name: ethyl N-(5-cyclohexa-1,5-dien-1-yl-1H-1,3-benzodiazepin-2-yl)carbamate Openeye Name: ethyl N-(5-cyclohexa-1,5-dien-1-yl-1H-1,3-benzodiazepin-2-yl)carbamate CAS Name: N-[5-(1-cyclohexa-1,5-dienyl)-1H-1,3-benzodiazepin-2-yl]carbamic acid ethyl ester IUPAC Name: ethyl N-(5-cyclohexa-1,5-dien-1-yl-1H-1,3-benzodiazepin-2-yl)carbamate Traditional Name: N-(5-cyclohexa-1,5-dien-1-yl-1H-1,3-benzodiazepin-2-yl)carbamic acid ethyl ester Formula: C18H19N3O2 MolecularWeight: 309.36236

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=NC=C(C2=CC=CC=C2N1)C3=CCCC=C3

Isomeric SMILES

CCOC(=O)NC1=NC=C(C2=CC=CC=C2N1)C3=CCCC=C3

InChI

InChI=1S/C18H19N3O2/c1-2-23-18(22)21-17-19-12-15(13-8-4-3-5-9-13)14-10-6-7-11-16(14)20-17/h4,6-12H,2-3,5H2,1H3,(H2,19,20,21,22)