N-[1-[[4-(imidazol-1-ylmethyl)phenyl]methylamino]-3-methyl-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[1-[[4-(imidazol-1-ylmethyl)phenyl]methylamino]-3-methyl-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[1-[[4-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]-2-methyl-propyl]adamantane-1-carboxamide CAS Name: N-[1-[[4-(1-imidazolylmethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[1-[[4-(imidazol-1-ylmethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide Traditional Name: N-[1-[[4-(imidazol-1-ylmethyl)benzyl]carbamoyl]-2-methyl-propyl]adamantane-1-carboxamide Formula: C27H36N4O2 MolecularWeight: 448.60034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=CC=C(C=C1)CN2C=CN=C2)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)C(C(=O)NCC1=CC=C(C=C1)CN2C=CN=C2)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H36N4O2/c1-18(2)24(30-26(33)27-12-21-9-22(13-27)11-23(10-21)14-27)25(32)29-15-19-3-5-20(6-4-19)16-31-8-7-28-17-31/h3-8,17-18,21-24H,9-16H2,1-2H3,(H,29,32)(H,30,33)