(8-chloranyl-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl) N-(3-oxidanylpropyl)carbamate

Systemtic Name: (8-chloranyl-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl) N-(3-oxidanylpropyl)carbamate Openeye Name: (8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl) N-(3-hydroxypropyl)carbamate CAS Name: N-(3-hydroxypropyl)carbamic acid (8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl) ester IUPAC Name: (8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl) N-(3-hydroxypropyl)carbamate Traditional Name: N-(3-hydroxypropyl)carbamic acid (8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl) ester Formula: C21H25ClN2O3 MolecularWeight: 388.8878

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=CC(=C(C=C2C(C1)C3=CC=CC=C3)OC(=O)NCCCO)Cl

Isomeric SMILES

CN1CCC2=CC(=C(C=C2C(C1)C3=CC=CC=C3)OC(=O)NCCCO)Cl

InChI

InChI=1S/C21H25ClN2O3/c1-24-10-8-16-12-19(22)20(27-21(26)23-9-5-11-25)13-17(16)18(14-24)15-6-3-2-4-7-15/h2-4,6-7,12-13,18,25H,5,8-11,14H2,1H3,(H,23,26)