N-[4-[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl-propyl-amino]-4-oxidanylidene-butyl]adamantane-1-carboxamide

Systemtic Name: N-[4-[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl-propyl-amino]-4-oxidanylidene-butyl]adamantane-1-carboxamide Openeye Name: N-[4-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl-propyl-amino]-4-oxo-butyl]adamantane-1-carboxamide CAS Name: N-[4-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl-propylamino]-4-oxobutyl]-1-adamantanecarboxamide IUPAC Name: N-[4-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl-propylamino]-4-oxobutyl]adamantane-1-carboxamide Traditional Name: N-[4-[(7-chloro-4-keto-1H-quinazolin-2-yl)methyl-propyl-amino]-4-keto-butyl]adamantane-1-carboxamide Formula: C27H35ClN4O3 MolecularWeight: 499.0448

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)C(=O)CCCNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCN(CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)C(=O)CCCNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H35ClN4O3/c1-2-8-32(16-23-30-22-12-20(28)5-6-21(22)25(34)31-23)24(33)4-3-7-29-26(35)27-13-17-9-18(14-27)11-19(10-17)15-27/h5-6,12,17-19H,2-4,7-11,13-16H2,1H3,(H,29,35)(H,30,31,34)