methyl 2-[2-[tert-butyl-(phenylmethyl)amino]-2-oxidanylidene-ethoxy]-4-oxidanylidene-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxylate

Systemtic Name: methyl 2-[2-[tert-butyl-(phenylmethyl)amino]-2-oxidanylidene-ethoxy]-4-oxidanylidene-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxylate Openeye Name: methyl 2-[2-[benzyl(tert-butyl)amino]-2-oxo-ethoxy]-4-oxo-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxylate CAS Name: 2-[2-[tert-butyl-(phenylmethyl)amino]-2-oxoethoxy]-4-oxo-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-[benzyl(tert-butyl)amino]-2-oxoethoxy]-4-oxo-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxylate Traditional Name: 2-[2-[benzyl(tert-butyl)amino]-2-keto-ethoxy]-4-keto-7,8,9,10-tetrahydro-6H-pyrid[1,2-a]azepine-1-carboxylic acid methyl ester Formula: C25H32N2O5 MolecularWeight: 440.53198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(CC1=CC=CC=C1)C(=O)COC2=CC(=O)N3CCCCCC3=C2C(=O)OC

Isomeric SMILES

CC(C)(C)N(CC1=CC=CC=C1)C(=O)COC2=CC(=O)N3CCCCCC3=C2C(=O)OC

InChI

InChI=1S/C25H32N2O5/c1-25(2,3)27(16-18-11-7-5-8-12-18)22(29)17-32-20-15-21(28)26-14-10-6-9-13-19(26)23(20)24(30)31-4/h5,7-8,11-12,15H,6,9-10,13-14,16-17H2,1-4H3