N-[4-[4-(9H-xanthen-9-ylcarbonyl)piperazin-1-yl]phenyl]adamantane-1-carboxamide

Systemtic Name: N-[4-[4-(9H-xanthen-9-ylcarbonyl)piperazin-1-yl]phenyl]adamantane-1-carboxamide Openeye Name: N-[4-[4-(9H-xanthene-9-carbonyl)piperazin-1-yl]phenyl]adamantane-1-carboxamide CAS Name: N-[4-[4-[oxo(9H-xanthen-9-yl)methyl]-1-piperazinyl]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[4-[4-(9H-xanthene-9-carbonyl)piperazin-1-yl]phenyl]adamantane-1-carboxamide Traditional Name: N-[4-[4-(9H-xanthene-9-carbonyl)piperazino]phenyl]adamantane-1-carboxamide Formula: C35H37N3O3 MolecularWeight: 547.68658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)C(=O)C6C7=CC=CC=C7OC8=CC=CC=C68

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)C(=O)C6C7=CC=CC=C7OC8=CC=CC=C68

InChI

InChI=1S/C35H37N3O3/c39-33(32-28-5-1-3-7-30(28)41-31-8-4-2-6-29(31)32)38-15-13-37(14-16-38)27-11-9-26(10-12-27)36-34(40)35-20-23-17-24(21-35)19-25(18-23)22-35/h1-12,23-25,32H,13-22H2,(H,36,40)