5-(1-adamantylcarbamoylamino)-N-(2-morpholin-4-ylethyl)-2-[4-(phenylmethyl)piperazin-1-yl]benzamide

Systemtic Name: 5-(1-adamantylcarbamoylamino)-N-(2-morpholin-4-ylethyl)-2-[4-(phenylmethyl)piperazin-1-yl]benzamide Openeye Name: 5-(1-adamantylcarbamoylamino)-2-(4-benzylpiperazin-1-yl)-N-(2-morpholinoethyl)benzamide CAS Name: 5-[[(1-adamantylamino)-oxomethyl]amino]-N-[2-(4-morpholinyl)ethyl]-2-[4-(phenylmethyl)-1-piperazinyl]benzamide IUPAC Name: 5-(1-adamantylcarbamoylamino)-2-(4-benzylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)benzamide Traditional Name: 5-(1-adamantylcarbamoylamino)-2-(4-benzylpiperazino)-N-(2-morpholinoethyl)benzamide Formula: C35H48N6O3 MolecularWeight: 600.79402

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C(C=C(C=C3)NC(=O)NC45CC6CC(C4)CC(C6)C5)C(=O)NCCN7CCOCC7

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(C=C(C=C3)NC(=O)NC45CC6CC(C4)CC(C6)C5)C(=O)NCCN7CCOCC7

InChI

InChI=1S/C35H48N6O3/c42-33(36-8-9-39-14-16-44-17-15-39)31-21-30(37-34(43)38-35-22-27-18-28(23-35)20-29(19-27)24-35)6-7-32(31)41-12-10-40(11-13-41)25-26-4-2-1-3-5-26/h1-7,21,27-29H,8-20,22-25H2,(H,36,42)(H2,37,38,43)