2-[2-[(4S)-4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxidanylidene-ethoxy]-4-propoxy-benzaldehyde

Systemtic Name: 2-[2-[(4S)-4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxidanylidene-ethoxy]-4-propoxy-benzaldehyde Openeye Name: 2-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxo-ethoxy]-4-propoxy-benzaldehyde CAS Name: 2-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethoxy]-4-propoxybenzaldehyde IUPAC Name: 2-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethoxy]-4-propoxybenzaldehyde Traditional Name: 2-[2-keto-2-[(4S)-2-keto-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]ethoxy]-4-propoxy-benzaldehyde Formula: C22H24N2O5 MolecularWeight: 396.43636

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=C(C=C1)C=O)OCC(=O)N2C(CC(=O)NC3=CC=CC=C32)C

Isomeric SMILES

CCCOC1=CC(=C(C=C1)C=O)OCC(=O)N2[C@H](CC(=O)NC3=CC=CC=C32)C

InChI

InChI=1S/C22H24N2O5/c1-3-10-28-17-9-8-16(13-25)20(12-17)29-14-22(27)24-15(2)11-21(26)23-18-6-4-5-7-19(18)24/h4-9,12-13,15H,3,10-11,14H2,1-2H3,(H,23,26)/t15-/m0/s1