methyl 3-[4-[2-oxidanylidene-3-[7-(phenylmethyl)-5,6,8,9-tetrahydropyrazino[2,3-d]azepin-3-yl]imidazol-1-yl]cyclohexyl]propanoate dihydrochloride

Systemtic Name: methyl 3-[4-[2-oxidanylidene-3-[7-(phenylmethyl)-5,6,8,9-tetrahydropyrazino[2,3-d]azepin-3-yl]imidazol-1-yl]cyclohexyl]propanoate dihydrochloride Openeye Name: methyl 3-[4-[3-(7-benzyl-5,6,8,9-tetrahydropyrazino[2,3-d]azepin-3-yl)-2-oxo-imidazol-1-yl]cyclohexyl]propanoate dihydrochloride CAS Name: 3-[4-[2-oxo-3-[7-(phenylmethyl)-5,6,8,9-tetrahydropyrazino[2,3-d]azepin-3-yl]-1-imidazolyl]cyclohexyl]propanoic acid methyl ester dihydrochloride IUPAC Name: methyl 3-[4-[3-(7-benzyl-5,6,8,9-tetrahydropyrazino[2,3-d]azepin-3-yl)-2-oxoimidazol-1-yl]cyclohexyl]propanoate dihydrochloride Traditional Name: 3-[4-[3-(7-benzyl-5,6,8,9-tetrahydropyrazin[2,3-d]azepin-3-yl)-2-keto-4-imidazolin-1-yl]cyclohexyl]propionic acid methyl ester dihydrochloride Formula: C28H37Cl2N5O3 MolecularWeight: 562.53108

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1CCC(CC1)N2C=CN(C2=O)C3=CN=C4CCN(CCC4=N3)CC5=CC=CC=C5.Cl.Cl

Isomeric SMILES

COC(=O)CCC1CCC(CC1)N2C=CN(C2=O)C3=CN=C4CCN(CCC4=N3)CC5=CC=CC=C5.Cl.Cl

InChI

InChI=1S/C28H35N5O3.2ClH/c1-36-27(34)12-9-21-7-10-23(11-8-21)32-17-18-33(28(32)35)26-19-29-24-13-15-31(16-14-25(24)30-26)20-22-5-3-2-4-6-22;;/h2-6,17-19,21,23H,7-16,20H2,1H3;2*1H