(phenylmethyl) 2-[1-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]-5-ethyl-9-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[1-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]-5-ethyl-9-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]ethanoate Openeye Name: benzyl 2-[1-[2-(azocan-1-yl)-2-oxo-ethyl]-5-ethyl-9-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]acetate CAS Name: 2-[1-[2-(1-azocanyl)-2-oxoethyl]-5-ethyl-9-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[1-[2-(azocan-1-yl)-2-oxoethyl]-5-ethyl-9-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]acetate Traditional Name: 2-[1-[2-(azocan-1-yl)-2-keto-ethyl]-5-ethyl-2-keto-9-methyl-3H-1,4-benzodiazepin-3-yl]acetic acid benzyl ester Formula: C30H37N3O4 MolecularWeight: 503.63248

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(C(=O)N(C2=C1C=CC=C2C)CC(=O)N3CCCCCCC3)CC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCC1=NC(C(=O)N(C2=C1C=CC=C2C)CC(=O)N3CCCCCCC3)CC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C30H37N3O4/c1-3-25-24-16-12-13-22(2)29(24)33(20-27(34)32-17-10-5-4-6-11-18-32)30(36)26(31-25)19-28(35)37-21-23-14-8-7-9-15-23/h7-9,12-16,26H,3-6,10-11,17-21H2,1-2H3