heptan-2-yl 2-[1-(2-chloranyl-4-pyrrolidin-1-yl-phenyl)carbonyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl]ethanoate

Systemtic Name: heptan-2-yl 2-[1-(2-chloranyl-4-pyrrolidin-1-yl-phenyl)carbonyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl]ethanoate Openeye Name: 1-methylhexyl 2-[1-(2-chloro-4-pyrrolidin-1-yl-benzoyl)-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetate CAS Name: 2-[1-[[2-chloro-4-(1-pyrrolidinyl)phenyl]-oxomethyl]-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetic acid heptan-2-yl ester IUPAC Name: heptan-2-yl 2-[1-(2-chloro-4-pyrrolidin-1-ylbenzoyl)-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetate Traditional Name: 2-[1-(2-chloro-4-pyrrolidino-benzoyl)-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetic acid 1-methylhexyl ester Formula: C30H39ClN2O3 MolecularWeight: 511.09526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)OC(=O)CC1CCCN(C2=CC=CC=C12)C(=O)C3=C(C=C(C=C3)N4CCCC4)Cl

Isomeric SMILES

CCCCCC(C)OC(=O)CC1CCCN(C2=CC=CC=C12)C(=O)C3=C(C=C(C=C3)N4CCCC4)Cl

InChI

InChI=1S/C30H39ClN2O3/c1-3-4-5-11-22(2)36-29(34)20-23-12-10-19-33(28-14-7-6-13-25(23)28)30(35)26-16-15-24(21-27(26)31)32-17-8-9-18-32/h6-7,13-16,21-23H,3-5,8-12,17-20H2,1-2H3