3-azido-5-phenethyl-1-propyl-3H-1,4-benzodiazepin-2-one

Systemtic Name: 3-azido-5-phenethyl-1-propyl-3H-1,4-benzodiazepin-2-one Openeye Name: 3-azido-5-phenethyl-1-propyl-3H-1,4-benzodiazepin-2-one CAS Name: 3-azido-5-phenethyl-1-propyl-3H-1,4-benzodiazepin-2-one IUPAC Name: 3-azido-5-phenethyl-1-propyl-3H-1,4-benzodiazepin-2-one Traditional Name: 3-azido-5-phenethyl-1-propyl-3H-1,4-benzodiazepin-2-one Formula: C20H21N5O MolecularWeight: 347.41364

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2C(=NC(C1=O)N=[N+]=[N-])CCC3=CC=CC=C3

Isomeric SMILES

CCCN1C2=CC=CC=C2C(=NC(C1=O)N=[N+]=[N-])CCC3=CC=CC=C3

InChI

InChI=1S/C20H21N5O/c1-2-14-25-18-11-7-6-10-16(18)17(22-19(20(25)26)23-24-21)13-12-15-8-4-3-5-9-15/h3-11,19H,2,12-14H2,1H3