4-(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-3-methyl-2-phenyl-morpholine

Systemtic Name: 4-(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-3-methyl-2-phenyl-morpholine Openeye Name: 4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-3-methyl-2-phenyl-morpholine CAS Name: 4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-3-methyl-2-phenylmorpholine IUPAC Name: 4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-3-methyl-2-phenylmorpholine Traditional Name: 4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-3-methyl-2-phenyl-morpholine Formula: C25H24ClNOS MolecularWeight: 421.98216

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OCCN1C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

CC1C(OCCN1C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C25H24ClNOS/c1-17-25(18-7-3-2-4-8-18)28-14-13-27(17)22-15-19-9-5-6-10-23(19)29-24-12-11-20(26)16-21(22)24/h2-12,16-17,22,25H,13-15H2,1H3