2-[4-[2-[8-chloranyl-5-(4-chlorophenyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-oxidanylidene-ethyl]piperazin-1-yl]ethyl ethanoate

Systemtic Name: 2-[4-[2-[8-chloranyl-5-(4-chlorophenyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-oxidanylidene-ethyl]piperazin-1-yl]ethyl ethanoate Openeye Name: 2-[4-[2-[8-chloro-5-(4-chlorophenyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-oxo-ethyl]piperazin-1-yl]ethyl acetate CAS Name: acetic acid 2-[4-[2-[8-chloro-5-(4-chlorophenyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-oxoethyl]-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-[2-[8-chloro-5-(4-chlorophenyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-oxoethyl]piperazin-1-yl]ethyl acetate Traditional Name: acetic acid 2-[4-[2-[8-chloro-5-(4-chlorophenyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-keto-ethyl]piperazino]ethyl ester Formula: C26H31Cl2N3O3 MolecularWeight: 504.44864

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCN1CCN(CC1)CC(=O)N2CCCC(C3=C2C=C(C=C3)Cl)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(=O)OCCN1CCN(CC1)CC(=O)N2CCCC(C3=C2C=C(C=C3)Cl)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H31Cl2N3O3/c1-19(32)34-16-15-29-11-13-30(14-12-29)18-26(33)31-10-2-3-23(20-4-6-21(27)7-5-20)24-9-8-22(28)17-25(24)31/h4-9,17,23H,2-3,10-16,18H2,1H3