ethyl 4-[4-[7-methyl-4,8-bis(oxidanylidene)-5,6-dihydro-1H-pyrrolo[2,3-c]azepin-5-yl]butyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-[7-methyl-4,8-bis(oxidanylidene)-5,6-dihydro-1H-pyrrolo[2,3-c]azepin-5-yl]butyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[4-(7-methyl-4,8-dioxo-5,6-dihydro-1H-pyrrolo[2,3-c]azepin-5-yl)butyl]piperazine-1-carboxylate CAS Name: 4-[4-(7-methyl-4,8-dioxo-5,6-dihydro-1H-pyrrolo[2,3-c]azepin-5-yl)butyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(7-methyl-4,8-dioxo-5,6-dihydro-1H-pyrrolo[2,3-c]azepin-5-yl)butyl]piperazine-1-carboxylate Traditional Name: 4-[4-(4,8-diketo-7-methyl-5,6-dihydro-1H-pyrrol[2,3-c]azepin-5-yl)butyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H30N4O4 MolecularWeight: 390.4766

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CCCCC2CN(C(=O)C3=C(C2=O)C=CN3)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CCCCC2CN(C(=O)C3=C(C2=O)C=CN3)C

InChI

InChI=1S/C20H30N4O4/c1-3-28-20(27)24-12-10-23(11-13-24)9-5-4-6-15-14-22(2)19(26)17-16(18(15)25)7-8-21-17/h7-8,15,21H,3-6,9-14H2,1-2H3