(7S)-7-[4-(4-phenylpiperazin-1-yl)butyl-prop-2-ynyl-amino]-5,6,7,8-tetrahydronaphthalen-2-ol

Systemtic Name: (7S)-7-[4-(4-phenylpiperazin-1-yl)butyl-prop-2-ynyl-amino]-5,6,7,8-tetrahydronaphthalen-2-ol Openeye Name: (3S)-3-[4-(4-phenylpiperazin-1-yl)butyl-prop-2-ynyl-amino]tetralin-6-ol CAS Name: (7S)-7-[4-(4-phenyl-1-piperazinyl)butyl-prop-2-ynylamino]-5,6,7,8-tetrahydronaphthalen-2-ol IUPAC Name: (7S)-7-[4-(4-phenylpiperazin-1-yl)butyl-prop-2-ynylamino]-5,6,7,8-tetrahydronaphthalen-2-ol Traditional Name: (3S)-3-[4-(4-phenylpiperazino)butyl-propargyl-amino]tetralin-6-ol Formula: C27H35N3O MolecularWeight: 417.5863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCN(CCCCN1CCN(CC1)C2=CC=CC=C2)C3CCC4=C(C3)C=C(C=C4)O

Isomeric SMILES

C#CCN(CCCCN1CCN(CC1)C2=CC=CC=C2)[C@H]3CCC4=C(C3)C=C(C=C4)O

InChI

InChI=1S/C27H35N3O/c1-2-14-29(26-12-10-23-11-13-27(31)22-24(23)21-26)16-7-6-15-28-17-19-30(20-18-28)25-8-4-3-5-9-25/h1,3-5,8-9,11,13,22,26,31H,6-7,10,12,14-21H2/t26-/m0/s1