N-[3-chloranyl-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-3-methoxy-naphthalene-2-carboxamide

Systemtic Name: N-[3-chloranyl-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-3-methoxy-naphthalene-2-carboxamide Openeye Name: N-[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-3-methoxy-naphthalene-2-carboxamide CAS Name: N-[3-chloro-4-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]phenyl]-3-methoxy-2-naphthalenecarboxamide IUPAC Name: N-[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-3-methoxynaphthalene-2-carboxamide Traditional Name: N-[3-chloro-4-(4-isovalerylpiperazino)phenyl]-3-methoxy-2-naphthamide Formula: C27H30ClN3O3 MolecularWeight: 479.9984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC4=CC=CC=C4C=C3OC)Cl

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC4=CC=CC=C4C=C3OC)Cl

InChI

InChI=1S/C27H30ClN3O3/c1-18(2)14-26(32)31-12-10-30(11-13-31)24-9-8-21(17-23(24)28)29-27(33)22-15-19-6-4-5-7-20(19)16-25(22)34-3/h4-9,15-18H,10-14H2,1-3H3,(H,29,33)