[4-(2,5-dimethylphenyl)piperazin-1-yl]-(6-propyl-11H-benzo[c][1]benzazepin-3-yl)methanone

Systemtic Name: [4-(2,5-dimethylphenyl)piperazin-1-yl]-(6-propyl-11H-benzo[c][1]benzazepin-3-yl)methanone Openeye Name: [4-(2,5-dimethylphenyl)piperazin-1-yl]-(6-propyl-11H-benzo[c][1]benzazepin-3-yl)methanone CAS Name: [4-(2,5-dimethylphenyl)-1-piperazinyl]-(6-propyl-11H-benzo[c][1]benzazepin-3-yl)methanone IUPAC Name: [4-(2,5-dimethylphenyl)piperazin-1-yl]-(6-propyl-11H-benzo[c][1]benzazepin-3-yl)methanone Traditional Name: [4-(2,5-dimethylphenyl)piperazino]-(6-propyl-11H-benzo[c][1]benzazepin-3-yl)methanone Formula: C30H33N3O MolecularWeight: 451.60252

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(CC3=CC=CC=C31)C=CC(=C2)C(=O)N4CCN(CC4)C5=C(C=CC(=C5)C)C

Isomeric SMILES

CCCC1=NC2=C(CC3=CC=CC=C31)C=CC(=C2)C(=O)N4CCN(CC4)C5=C(C=CC(=C5)C)C

InChI

InChI=1S/C30H33N3O/c1-4-7-27-26-9-6-5-8-23(26)19-24-12-13-25(20-28(24)31-27)30(34)33-16-14-32(15-17-33)29-18-21(2)10-11-22(29)3/h5-6,8-13,18,20H,4,7,14-17,19H2,1-3H3