methyl 6-(5-oxidanylidene-1,2,3,4-tetrahydro-1,4-benzodiazepin-9-yl)hex-5-ynoate

Systemtic Name: methyl 6-(5-oxidanylidene-1,2,3,4-tetrahydro-1,4-benzodiazepin-9-yl)hex-5-ynoate Openeye Name: methyl 6-(5-oxo-1,2,3,4-tetrahydro-1,4-benzodiazepin-9-yl)hex-5-ynoate CAS Name: 6-(5-oxo-1,2,3,4-tetrahydro-1,4-benzodiazepin-9-yl)-5-hexynoic acid methyl ester IUPAC Name: methyl 6-(5-oxo-1,2,3,4-tetrahydro-1,4-benzodiazepin-9-yl)hex-5-ynoate Traditional Name: 6-(5-keto-1,2,3,4-tetrahydro-1,4-benzodiazepin-9-yl)hex-5-ynoic acid methyl ester Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC#CC1=C2C(=CC=C1)C(=O)NCCN2

Isomeric SMILES

COC(=O)CCCC#CC1=C2C(=CC=C1)C(=O)NCCN2

InChI

InChI=1S/C16H18N2O3/c1-21-14(19)9-4-2-3-6-12-7-5-8-13-15(12)17-10-11-18-16(13)20/h5,7-8,17H,2,4,9-11H2,1H3,(H,18,20)