2-[(4-chloranylphenoxy)methyl]-4,5-dimethyl-3-(4-piperidin-4-ylbutyl)-3H-indole

Systemtic Name: 2-[(4-chloranylphenoxy)methyl]-4,5-dimethyl-3-(4-piperidin-4-ylbutyl)-3H-indole Openeye Name: 2-[(4-chlorophenoxy)methyl]-4,5-dimethyl-3-[4-(4-piperidyl)butyl]-3H-indole CAS Name: 2-[(4-chlorophenoxy)methyl]-4,5-dimethyl-3-[4-(4-piperidinyl)butyl]-3H-indole IUPAC Name: 2-[(4-chlorophenoxy)methyl]-4,5-dimethyl-3-(4-piperidin-4-ylbutyl)-3H-indole Traditional Name: 2-[(4-chlorophenoxy)methyl]-4,5-dimethyl-3-[4-(4-piperidyl)butyl]-3H-indole Formula: C26H33ClN2O MolecularWeight: 425.00602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)N=C(C2CCCCC3CCNCC3)COC4=CC=C(C=C4)Cl)C

Isomeric SMILES

CC1=C(C2=C(C=C1)N=C(C2CCCCC3CCNCC3)COC4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C26H33ClN2O/c1-18-7-12-24-26(19(18)2)23(6-4-3-5-20-13-15-28-16-14-20)25(29-24)17-30-22-10-8-21(27)9-11-22/h7-12,20,23,28H,3-6,13-17H2,1-2H3